General Information of the Compound
| Compound ID |
CP0439441
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| Compound Name |
4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R,6S)-2-oxo-6-phenylazepan-3-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C24H28N6O3
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| Molecular Weight |
448.527
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@H](CNC1=O)c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O
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| InChI |
InChI=1S/C24H28N6O3/c31-22-19(9-8-17(15-26-22)16-5-2-1-3-6-16)27-23(32)29-13-10-18(11-14-29)30-20-7-4-12-25-21(20)28-24(30)33/h1-7,12,17-19H,8-11,13-15H2,(H,26,31)(H,27,32)(H,25,28,33)/t17-,19-/m1/s1
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| InChIKey |
QLDGTBFTXTWRGN-IEBWSBKVSA-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