General Information of the Compound
| Compound ID |
CP0441516
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| Compound Name |
US8835444, 3.3
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| Formula |
C24H26ClFN4O
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| Molecular Weight |
440.95
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| Canonical SMILES |
Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H26ClFN4O/c1-15-11-23(18-5-7-20(26)8-6-18)29-30(15)14-17-3-9-21(10-4-17)28-24(31)22-12-19(25)13-27-16(22)2/h5-8,11-13,17,21H,3-4,9-10,14H2,1-2H3,(H,28,31)/t17-,21+
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| InChIKey |
HDVKCZBTJPPTOY-UEDWGHLCSA-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