General Information of the Compound
| Compound ID |
CP0862005
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| Compound Name |
Trans-2-Chloro-N-[4-(6-fluoro-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-bcnzamide
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| Formula |
C23H21ClF4N2O2
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| Molecular Weight |
468.878
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CN2C(=O)Cc3ccc(F)cc32)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C23H21ClF4N2O2/c24-19-8-4-15(23(26,27)28)10-18(19)22(32)29-17-6-1-13(2-7-17)12-30-20-11-16(25)5-3-14(20)9-21(30)31/h3-5,8,10-11,13,17H,1-2,6-7,9,12H2,(H,29,32)/t13-,17-
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| InChIKey |
IVVWFUOZTWGACZ-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
Protein ID: PT01588, Corticotropin-releasing factor receptor 1
Protein ID: PT02921, Corticotropin-releasing factor receptor 2