General Information of the Compound
| Compound ID |
CP0447782
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| Compound Name |
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C19H20ClN3O2
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| Molecular Weight |
357.841
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| Canonical SMILES |
Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccncc1
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| InChI |
InChI=1S/C19H20ClN3O2/c20-15-4-1-3-14(11-15)19(25)23-17-6-2-5-16(12-17)22-18(24)13-7-9-21-10-8-13/h1,3-4,7-11,16-17H,2,5-6,12H2,(H,22,24)(H,23,25)/t16-,17-/m0/s1
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| InChIKey |
UOUAHARLYWMUJP-IRXDYDNUSA-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