General Information of the Compound
| Compound ID |
CP0902358
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| Compound Name |
Trans-2-Chloro-N-[4-(3-ethyl-2-oxo-2,3-dihydro-bcnzoimidazol-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C24H25ClF3N3O2
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| Molecular Weight |
479.93
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| Canonical SMILES |
CCn1c(=O)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ccccc21
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| InChI |
InChI=1S/C24H25ClF3N3O2/c1-2-30-20-5-3-4-6-21(20)31(23(30)33)14-15-7-10-17(11-8-15)29-22(32)18-13-16(24(26,27)28)9-12-19(18)25/h3-6,9,12-13,15,17H,2,7-8,10-11,14H2,1H3,(H,29,32)/t15-,17-
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| InChIKey |
WJJRVBYOGIZNJP-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