General Information of the Compound
| Compound ID |
CP0551473
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| Compound Name |
2-(dimethylamino)-N-[2-[3-[[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C31H31F3N4O4S
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| Molecular Weight |
612.674
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C31H31F3N4O4S/c1-38(2)27-13-5-4-12-26(27)30(39)36-17-16-35-24-10-7-11-25(20-24)37-43(40,41)29-19-22(14-15-28(29)42-3)21-8-6-9-23(18-21)31(32,33)34/h4-15,18-20,35,37H,16-17H2,1-3H3,(H,36,39)
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| InChIKey |
OAOKGVZNZKUCKP-UHFFFAOYSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1