| Drug Name |
US9132129, Cpd047
|
| Synonyms |
SCHEMBL6122355; CHEMBL3910801; ZCHVIKJTLWPNBL-UHFFFAOYSA-N; BDBM179866; US9132129, Cpd047; 2-(2-methyl-4-p-tolylpyrimido[1,2-b]indazol-3-yl)pentanoic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
373.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C23H23N3O2
- IUPAC Name
2-[2-methyl-4-(4-methylphenyl)pyrimido[1,2-b]indazol-3-yl]pentanoic acid - Canonical SMILES
-
CCCC(C1=C(N2C(=C3C=CC=CC3=N2)N=C1C)C4=CC=C(C=C4)C)C(=O)O
- InChI
-
InChI=1S/C23H23N3O2/c1-4-7-18(23(27)28)20-15(3)24-22-17-8-5-6-9-19(17)25-26(22)21(20)16-12-10-14(2)11-13-16/h5-6,8-13,18H,4,7H2,1-3H3,(H,27,28)
- InChIKey
-
ZCHVIKJTLWPNBL-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 69673524
- TTD ID
- D0RP0H
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