General Information of the Compound
| Compound ID |
CP0203673
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| Compound Name |
(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]methanamine
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| Structure |
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| Formula |
C19H21ClN4
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| Molecular Weight |
340.858
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| Canonical SMILES |
NC(C1CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H21ClN4/c20-15-3-1-13(2-4-15)18(21)14-7-11-24(12-8-14)17-6-10-23-19-16(17)5-9-22-19/h1-6,9-10,14,18H,7-8,11-12,21H2,(H,22,23)
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| InChIKey |
PRPNDHHOYWARPB-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