General Information of the Compound
| Compound ID |
CP0409281
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| Compound Name |
5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)-N-[(2S)-1-oxo-1-(2-oxobutylamino)-4-phenylbutan-2-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H38N4O5
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| Molecular Weight |
534.657
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| Canonical SMILES |
CCC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
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| InChI |
InChI=1S/C30H38N4O5/c1-6-22(35)18-31-29(36)23(16-15-21-11-8-7-9-12-21)32-30(37)24-17-25(34(33-24)19-20(2)3)28-26(38-4)13-10-14-27(28)39-5/h7-14,17,20,23H,6,15-16,18-19H2,1-5H3,(H,31,36)(H,32,37)/t23-/m0/s1
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| InChIKey |
FFRROTXFBYUZQR-QHCPKHFHSA-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