General Information of the Compound
| Compound ID |
CP0426942
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| Compound Name |
4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-(3-thienyl)azepan-3-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C22H26N6O3S
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| Molecular Weight |
454.556
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| Canonical SMILES |
O=C(N[C@@H]1CCC(CNC1=O)c1ccsc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O
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| InChI |
InChI=1S/C22H26N6O3S/c29-20-17(4-3-14(12-24-20)15-7-11-32-13-15)25-21(30)27-9-5-16(6-10-27)28-18-2-1-8-23-19(18)26-22(28)31/h1-2,7-8,11,13-14,16-17H,3-6,9-10,12H2,(H,24,29)(H,25,30)(H,23,26,31)/t14?,17-/m1/s1
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| InChIKey |
SQGMZUYNMBXPCG-FBMWCMRBSA-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