General Information of the Compound
| Compound ID |
CP0850734
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| Compound Name |
Trans-5-Chloro-N-[4-(3-isobutyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
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| Formula |
C25H31ClN4O2
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| Molecular Weight |
455.002
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2c(=O)n(CC(C)C)c3ccccc32)CC1
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| InChI |
InChI=1S/C25H31ClN4O2/c1-16(2)14-29-22-6-4-5-7-23(22)30(25(29)32)15-18-8-10-20(11-9-18)28-24(31)21-12-19(26)13-27-17(21)3/h4-7,12-13,16,18,20H,8-11,14-15H2,1-3H3,(H,28,31)/t18-,20-
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| InChIKey |
LSFVOPLRJHUUNQ-KESTWPANSA-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