General Information of the Compound
| Compound ID |
CP0165948
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| Compound Name |
4-Amino-N-(4-chlorobenzyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H22ClN5O
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| Molecular Weight |
383.883
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| Canonical SMILES |
NC1(CCN(CC1)c1ccnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22ClN5O/c21-15-3-1-14(2-4-15)13-25-19(27)20(22)7-11-26(12-8-20)17-6-10-24-18-16(17)5-9-23-18/h1-6,9-10H,7-8,11-13,22H2,(H,23,24)(H,25,27)
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| InChIKey |
WPDHASUWSYKMLT-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