General Information of the Compound
| Compound ID |
CP0427920
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| Compound Name |
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C21H30N6O3
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| Molecular Weight |
414.51
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| Canonical SMILES |
CC(C)C1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1
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| InChI |
InChI=1S/C21H30N6O3/c1-13(2)14-5-6-16(19(28)23-12-14)24-20(29)26-10-7-15(8-11-26)27-17-4-3-9-22-18(17)25-21(27)30/h3-4,9,13-16H,5-8,10-12H2,1-2H3,(H,23,28)(H,24,29)(H,22,25,30)/t14?,16-/m1/s1
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| InChIKey |
VEHSPEHQVKZXJV-BZSJEYESSA-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
Protein ID: PT01670, Calcitonin gene-related peptide type 1 receptor