General Information of the Compound
| Compound ID |
CP0414379
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| Compound Name |
N-[(2S)-1-(cyclobutylamino)-1-oxo-4-phenylbutan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H38N4O4
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| Molecular Weight |
518.658
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)NC1CCC1
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| InChI |
InChI=1S/C30H38N4O4/c1-20(2)19-34-25(28-26(37-3)14-9-15-27(28)38-4)18-24(33-34)30(36)32-23(29(35)31-22-12-8-13-22)17-16-21-10-6-5-7-11-21/h5-7,9-11,14-15,18,20,22-23H,8,12-13,16-17,19H2,1-4H3,(H,31,35)(H,32,36)/t23-/m0/s1
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| InChIKey |
NZXGOPAQGRBHOB-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