General Information of the Compound
| Compound ID |
CP0572519
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| Compound Name |
2-(dimethylamino)-N-[2-[3-[[5-[3-(dimethylamino)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C32H37N5O4S
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| Molecular Weight |
587.746
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)N(C)C
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| InChI |
InChI=1S/C32H37N5O4S/c1-36(2)27-13-8-10-23(20-27)24-16-17-30(41-5)31(21-24)42(39,40)35-26-12-9-11-25(22-26)33-18-19-34-32(38)28-14-6-7-15-29(28)37(3)4/h6-17,20-22,33,35H,18-19H2,1-5H3,(H,34,38)
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| InChIKey |
IRMPTCDBRAACAO-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