General Information of the Compound
| Compound ID |
CP0849230
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| Compound Name |
Trans-2-Chloro-N-[4-(7-methoxy-3,3-dimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C26H28ClF3N2O3
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| Molecular Weight |
508.968
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| Canonical SMILES |
COc1cccc2c1N(C[C@H]1CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC1)C(=O)C2(C)C
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| InChI |
InChI=1S/C26H28ClF3N2O3/c1-25(2)19-5-4-6-21(35-3)22(19)32(24(25)34)14-15-7-10-17(11-8-15)31-23(33)18-13-16(26(28,29)30)9-12-20(18)27/h4-6,9,12-13,15,17H,7-8,10-11,14H2,1-3H3,(H,31,33)/t15-,17-
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| InChIKey |
MLRSLDAUHHMFFB-JCNLHEQBSA-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
Protein ID: PT01588, Corticotropin-releasing factor receptor 1
Protein ID: PT02921, Corticotropin-releasing factor receptor 2