General Information of the Compound
| Compound ID |
CP0860149
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| Compound Name |
Trans-2-chloro-N-[4-(3,3-dimethyl-2-oxo-2,3-dihydro-pyrrolo[2,3-b]pyridin-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C23H25ClFN3O2
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| Molecular Weight |
429.923
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)[C@@](C)(F)c3ccccc32)CC1
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| InChI |
InChI=1S/C23H25ClFN3O2/c1-14-18(11-16(24)12-26-14)21(29)27-17-9-7-15(8-10-17)13-28-20-6-4-3-5-19(20)23(2,25)22(28)30/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,27,29)/t15-,17-,23-/m0/s1
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| InChIKey |
OIXNYOOXUYKBKE-YGJVYZRNSA-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