General Information of the Compound
| Compound ID |
CP0573470
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| Compound Name |
2-(dimethylamino)-N-[2-[3-[[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C33H38N4O4S
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| Molecular Weight |
586.758
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(C)C
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| InChI |
InChI=1S/C33H38N4O4S/c1-23(2)24-10-8-11-25(20-24)26-16-17-31(41-5)32(21-26)42(39,40)36-28-13-9-12-27(22-28)34-18-19-35-33(38)29-14-6-7-15-30(29)37(3)4/h6-17,20-23,34,36H,18-19H2,1-5H3,(H,35,38)
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| InChIKey |
VAVGZCCGXWHDBQ-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