General Information of the Compound
| Compound ID |
CP0416315
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| Compound Name |
US8835444, 5.21
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| Formula |
C19H20Cl2F3N3O2
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| Molecular Weight |
450.288
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| Canonical SMILES |
OCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1Cl
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| InChI |
InChI=1S/C19H20Cl2F3N3O2/c20-15-6-3-12(19(22,23)24)7-14(15)18(29)25-13-4-1-11(2-5-13)8-27-9-16(21)17(10-28)26-27/h3,6-7,9,11,13,28H,1-2,4-5,8,10H2,(H,25,29)/t11-,13-
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| InChIKey |
MRZCTSJNLTVOQB-AULYBMBSSA-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