General Information of the Compound
| Compound ID |
CP0904387
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| Compound Name |
Trans-2-chloro-N-[4-(6-chloro-3,3-difluoro-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C23H19Cl2F5N2O2
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| Molecular Weight |
521.313
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C23H19Cl2F5N2O2/c24-14-4-7-17-19(10-14)32(21(34)22(17,26)27)11-12-1-5-15(6-2-12)31-20(33)16-9-13(23(28,29)30)3-8-18(16)25/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,31,33)/t12-,15-
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| InChIKey |
OFPIALNVGIRRPB-NNUKFRKNSA-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