General Information of the Compound
| Compound ID |
CP0414381
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-cyclohexyl-1-oxopentan-3-yl]-1-cyclohexyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C33H48N4O4
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| Molecular Weight |
564.771
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C33H48N4O4/c1-40-29-17-10-18-30(41-2)32(29)28-22-27(36-37(28)26-15-7-4-8-16-26)33(39)35-25(20-19-23-11-5-3-6-12-23)21-31(38)34-24-13-9-14-24/h10,17-18,22-26H,3-9,11-16,19-21H2,1-2H3,(H,34,38)(H,35,39)/t25-/m0/s1
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| InChIKey |
CQAKQRBCNZSQEN-VWLOTQADSA-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: PT05078, Apelin receptor
Protein ID: PT01197, Type-1 angiotensin II receptor