Drug Name |
Indazole derivative 5
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Synonyms |
PMID25656651-Compound-35 |
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): 0 |
Molecular Weight (mw) |
386.5 |
|
Topological Polar Surface Area (xlogp) |
4.2 |
Rotatable Bond Count (rotbonds) |
5 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
4 |
ADMET Property |
- Half-life
-
The concentration or amount of drug in body reduced by one-half in 2.5 - 6.1 hours
[1]
- Metabolism
-
The drug is metabolized via the hepatic
[2]
- Vd
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The volume of distribution (Vd) of drug is 160 L
[3]
|
Chemical Identifiers |
- Formula
- C22H18N4OS
- IUPAC Name
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
- Canonical SMILES
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CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
- InChI
-
InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
- InChIKey
-
RITAVMQDGBJQJZ-FMIVXFBMSA-N
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Cross-matching ID |
- PubChem CID
- 6450551
- ChEBI ID
-
- CAS Number
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- DrugBank ID
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- TTD ID
- D0MX5B
- ACDINA ID
- D00053
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