General Information of the Compound
| Compound ID |
CP0525834
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| Compound Name |
N-[(3S)-5-cyclohexyl-1-(2-methoxyethylamino)-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H46N4O5
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| Molecular Weight |
542.721
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| Canonical SMILES |
COCCNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
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| InChI |
InChI=1S/C30H46N4O5/c1-21(2)20-34-25(29-26(38-4)12-9-13-27(29)39-5)19-24(33-34)30(36)32-23(18-28(35)31-16-17-37-3)15-14-22-10-7-6-8-11-22/h9,12-13,19,21-23H,6-8,10-11,14-18,20H2,1-5H3,(H,31,35)(H,32,36)/t23-/m0/s1
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| InChIKey |
OWXDHAZXTAKQHA-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