General Information of the Compound
| Compound ID |
CP0526963
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| Compound Name |
3-(4-((1-(4-((cyclopropylmethyl)carbamoyl)cyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C30H35F3N4O6
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| Molecular Weight |
604.626
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C2CCC(CC2)C(=O)NCC2CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C30H35F3N4O6/c31-30(32,33)43-25-13-9-23(10-14-25)36-29(42)37(24-11-7-22(8-12-24)28(41)35-17-19-1-2-19)18-20-3-5-21(6-4-20)27(40)34-16-15-26(38)39/h3-6,9-10,13-14,19,22,24H,1-2,7-8,11-12,15-18H2,(H,34,40)(H,35,41)(H,36,42)(H,38,39)
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| InChIKey |
JGEUXPORLFXTPV-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