General Information of the Compound
| Compound ID |
CP0456085
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| Compound Name |
9-chloro-6-[(1R)-1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
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| Structure |
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| Formula |
C20H19ClF5N5O2
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| Molecular Weight |
491.848
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| Canonical SMILES |
COc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc([C@@H](OC(F)F)C(F)(F)F)c32)c(C)n1
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| InChI |
InChI=1S/C20H19ClF5N5O2/c1-9-14(10(2)28-18(27-9)32-3)30-7-4-8-31-15-11(16(20(24,25)26)33-17(22)23)5-6-12(21)13(15)29-19(30)31/h5-6,16-17H,4,7-8H2,1-3H3/t16-/m1/s1
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| InChIKey |
SJCKNNGKORXNRE-MRXNPFEDSA-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