General Information of the Compound
| Compound ID |
CP0911674
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| Compound Name |
Trans-5-chloro-N-[4-(3,3-dimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-2-methyl nicotinamide
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| Formula |
C24H28ClN3O2
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| Molecular Weight |
425.96
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(C)(C)c3ccccc32)CC1
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| InChI |
InChI=1S/C24H28ClN3O2/c1-15-19(12-17(25)13-26-15)22(29)27-18-10-8-16(9-11-18)14-28-21-7-5-4-6-20(21)24(2,3)23(28)30/h4-7,12-13,16,18H,8-11,14H2,1-3H3,(H,27,29)/t16-,18-
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| InChIKey |
LFOBXUQXQIBRRP-SAABIXHNSA-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