General Information of the Compound
| Compound ID |
CP0968878
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| Compound Name |
Trans-2-Chloro-N-[4-(5-chloro-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C23H21Cl2F3N2O2
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| Molecular Weight |
485.333
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CN2C(=O)Cc3cc(Cl)ccc32)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C23H21Cl2F3N2O2/c24-16-4-8-20-14(9-16)10-21(31)30(20)12-13-1-5-17(6-2-13)29-22(32)18-11-15(23(26,27)28)3-7-19(18)25/h3-4,7-9,11,13,17H,1-2,5-6,10,12H2,(H,29,32)/t13-,17-
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| InChIKey |
CSYWIPOUTUDYHD-WJYNOGRTSA-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