General Information of the Compound
| Compound ID |
CP0538747
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| Compound Name |
4-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyclopentylbenzoic acid
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| Structure |
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| Formula |
C20H17N3O2
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| Molecular Weight |
331.375
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| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2nc(ccc12)C#N
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| InChI |
InChI=1S/C20H17N3O2/c21-10-14-6-8-15-18(11-22-19(15)23-14)13-5-7-16(20(24)25)17(9-13)12-3-1-2-4-12/h5-9,11-12H,1-4H2,(H,22,23)(H,24,25)
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| InChIKey |
BAWXEVOVKWUHAA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound