General Information of the Compound
| Compound ID |
CP0544561
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| Compound Name |
3-[4-methoxy-3-[[3-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C34H36N4O5S
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| Molecular Weight |
612.752
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(C)c1)-c1cccc(c1)C(=O)N(C)C
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| InChI |
InChI=1S/C34H36N4O5S/c1-24-8-5-10-27(20-24)34(40)38-18-16-37(17-19-38)30-13-7-12-29(23-30)35-44(41,42)32-22-26(14-15-31(32)43-4)25-9-6-11-28(21-25)33(39)36(2)3/h5-15,20-23,35H,16-19H2,1-4H3
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| InChIKey |
MXUIFIWRAXJOQB-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