| Drug Name |
L-738167
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| Synonyms |
L-738167; CHEMBL298655; L 738167; 163212-43-9; AC1L4BHI; SCHEMBL609722; DTXSID30167534; YLFFZEQHDMFOEC-NRFANRHFSA-N; BDBM50058239; L-Alanine, N-((4-methylphenyl)sulfonyl)-3-(((5,6,7,8-tetrahydro-4-oxo-5-(2-(4-piperidinyl)ethyl)-4H-pyrazolo(1,5-a)(1,4)diazepin-2-yl)carbonyl)amino)-; 3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetrahydro-4H-1,5,8a-triaza-azulene-2-carbonyl]-amino}-2-(toluene-4-sulfonylamino)-propionic acid (L-738167)
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| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
546.6 |
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| Logarithm of the Partition Coefficient (xlogp) |
-1.3 |
| Rotatable Bond Count (rotbonds) |
10 |
| Hydrogen Bond Donor Count (hbonddonor) |
4 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C25H34N6O6S
- IUPAC Name
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid - Canonical SMILES
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CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC(=O)C2=NN3CCCN(C(=O)C3=C2)CCC4CCNCC4)C(=O)O
- InChI
-
InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1
- InChIKey
-
YLFFZEQHDMFOEC-NRFANRHFSA-N
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| Cross-matching ID |
- PubChem CID
- 153986
- CAS Number
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- TTD ID
- D08LIG
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