General Information of the Compound
| Compound ID |
CP0414380
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| Compound Name |
methyl 2-[[(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]pentanoyl]-methylamino]acetate
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| Structure |
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| Formula |
C31H46N4O6
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| Molecular Weight |
570.731
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| Canonical SMILES |
COC(=O)CN(C)C(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
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| InChI |
InChI=1S/C31H46N4O6/c1-21(2)19-35-25(30-26(39-4)13-10-14-27(30)40-5)18-24(33-35)31(38)32-23(16-15-22-11-8-7-9-12-22)17-28(36)34(3)20-29(37)41-6/h10,13-14,18,21-23H,7-9,11-12,15-17,19-20H2,1-6H3,(H,32,38)/t23-/m0/s1
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| InChIKey |
HSEBECGWTBSSRH-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