General Information of the Compound
| Compound ID |
CP0473203
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| Compound Name |
methyl 2-[[(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]pentanoyl]amino]acetate
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| Structure |
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| Formula |
C30H44N4O6
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| Molecular Weight |
556.704
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| Canonical SMILES |
COC(=O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
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| InChI |
InChI=1S/C30H44N4O6/c1-20(2)19-34-24(29-25(38-3)12-9-13-26(29)39-4)17-23(33-34)30(37)32-22(15-14-21-10-7-6-8-11-21)16-27(35)31-18-28(36)40-5/h9,12-13,17,20-22H,6-8,10-11,14-16,18-19H2,1-5H3,(H,31,35)(H,32,37)/t22-/m0/s1
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| InChIKey |
XFHJKWAFLUPDGY-QFIPXVFZSA-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