General Information of the Compound
| Compound ID |
CP0904714
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| Compound Name |
US8835444, 1.8
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| Formula |
C26H27Cl2F3N4O2
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| Molecular Weight |
555.428
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| Canonical SMILES |
COc1ccc(-c2c(NC[C@H]3CC[C@H](NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n[nH]c2C)c(Cl)c1
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| InChI |
InChI=1S/C26H27Cl2F3N4O2/c1-14-23(19-9-8-18(37-2)12-22(19)28)24(35-34-14)32-13-15-3-6-17(7-4-15)33-25(36)20-11-16(26(29,30)31)5-10-21(20)27/h5,8-12,15,17H,3-4,6-7,13H2,1-2H3,(H,33,36)(H2,32,34,35)/t15-,17-
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| InChIKey |
DOEWJZPYNWPPDF-JCNLHEQBSA-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