General Information of the Compound
| Compound ID |
CP0871599
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| Compound Name |
Trans-5-Chloro-2-methyl-N-[4-(3,3,4-trimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-nicotinamide
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
Cc1cccc2c1C(C)(C)C(=O)N2C[C@H]1CC[C@H](NC(=O)c2cc(Cl)cnc2C)CC1
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| InChI |
InChI=1S/C25H30ClN3O2/c1-15-6-5-7-21-22(15)25(3,4)24(31)29(21)14-17-8-10-19(11-9-17)28-23(30)20-12-18(26)13-27-16(20)2/h5-7,12-13,17,19H,8-11,14H2,1-4H3,(H,28,30)/t17-,19-
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| InChIKey |
SFKMNPGMVSBQBH-UAPYVXQJSA-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