General Information of the Compound
| Compound ID |
CP0425467
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| Compound Name |
US8835444, 2.4
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| Formula |
C24H27ClN4O
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| Molecular Weight |
422.96
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| Canonical SMILES |
Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccccc1
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| InChI |
InChI=1S/C24H27ClN4O/c1-16-12-23(19-6-4-3-5-7-19)28-29(16)15-18-8-10-21(11-9-18)27-24(30)22-13-20(25)14-26-17(22)2/h3-7,12-14,18,21H,8-11,15H2,1-2H3,(H,27,30)/t18-,21+
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| InChIKey |
UTRUIFXMYSIHGC-RVWIWJKTSA-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