General Information of the Compound
| Compound ID |
CP0858046
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| Compound Name |
Trans-5-Chloro-N-[4-(6-chloro-3,3-difluoro-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
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| Formula |
C22H21Cl2F2N3O2
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| Molecular Weight |
468.331
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1
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| InChI |
InChI=1S/C22H21Cl2F2N3O2/c1-12-17(8-15(24)10-27-12)20(30)28-16-5-2-13(3-6-16)11-29-19-9-14(23)4-7-18(19)22(25,26)21(29)31/h4,7-10,13,16H,2-3,5-6,11H2,1H3,(H,28,30)/t13-,16-
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| InChIKey |
FSPUCNMCLSWKHA-SAZUREKKSA-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