General Information of the Compound
| Compound ID |
CP0904389
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| Compound Name |
Trans-5-Chloro-N-[4-(6-methoxy-3,3-dimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
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| Formula |
C25H30ClN3O3
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| Molecular Weight |
455.986
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| Canonical SMILES |
COc1ccc2c(c1)N(C[C@H]1CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC1)C(=O)C2(C)C
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| InChI |
InChI=1S/C25H30ClN3O3/c1-15-20(11-17(26)13-27-15)23(30)28-18-7-5-16(6-8-18)14-29-22-12-19(32-4)9-10-21(22)25(2,3)24(29)31/h9-13,16,18H,5-8,14H2,1-4H3,(H,28,30)/t16-,18-
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| InChIKey |
LYUQTUCFDNXTIZ-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