General Information of the Compound
| Compound ID |
CP0570970
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| Compound Name |
3-[4-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C31H29F3N4O4
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| Molecular Weight |
578.591
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| Canonical SMILES |
CC(C)(C)OC(=O)NCC1(CC1)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C31H29F3N4O4/c1-29(2,3)42-28(41)35-18-30(12-13-30)23-8-4-19(5-9-23)21-14-22(27(39)40)16-25(15-21)38-17-26(36-37-38)20-6-10-24(11-7-20)31(32,33)34/h4-11,14-17H,12-13,18H2,1-3H3,(H,35,41)(H,39,40)
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| InChIKey |
VNAZJCMVKNAJHJ-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