General Information of the Compound
| Compound ID |
CP0502036
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| Compound Name |
3-[[4-[[[1-(cyclopropanecarbonyl)piperidin-4-yl]-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H31F3N4O6
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| Molecular Weight |
576.572
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C2CCN(CC2)C(=O)C2CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C28H31F3N4O6/c29-28(30,31)41-23-9-7-21(8-10-23)33-27(40)35(22-12-15-34(16-13-22)26(39)20-5-6-20)17-18-1-3-19(4-2-18)25(38)32-14-11-24(36)37/h1-4,7-10,20,22H,5-6,11-17H2,(H,32,38)(H,33,40)(H,36,37)
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| InChIKey |
KRJYJDKZZLZNDM-UHFFFAOYSA-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