General Information of the Compound
| Compound ID |
CP0433350
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| Compound Name |
3-(4-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)chroman-7-carboxamido)propanoic acid
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| Formula |
C31H38F3N3O6
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| Molecular Weight |
605.654
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCOc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H38F3N3O6/c1-30(2,3)20-5-9-22(10-6-20)37(29(41)36-21-7-11-23(12-8-21)43-31(32,33)34)25-15-17-42-26-18-19(4-13-24(25)26)28(40)35-16-14-27(38)39/h4,7-8,11-13,18,20,22,25H,5-6,9-10,14-17H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t20-,22-,25?
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| InChIKey |
QCXYVMFKAJYFNH-DUNBPCILSA-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