General Information of the Compound
| Compound ID |
CP0426939
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-[2-(trifluoromethoxy)ethyl]azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C27H29F5N6O4
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| Molecular Weight |
596.557
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CCOC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C27H29F5N6O4/c28-19-4-1-3-18(22(19)29)16-6-7-20(24(39)37(15-16)13-14-42-27(30,31)32)34-25(40)36-11-8-17(9-12-36)38-21-5-2-10-33-23(21)35-26(38)41/h1-5,10,16-17,20H,6-9,11-15H2,(H,34,40)(H,33,35,41)/t16-,20-/m1/s1
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| InChIKey |
ZFMZZZFMTWJEHQ-OXQOHEQNSA-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