General Information of the Compound
| Compound ID |
CP0534000
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| Compound Name |
5-[4-methoxy-3-[[3-[2-[(3-methylbenzoyl)amino]ethylamino]phenyl]sulfamoyl]phenyl]-N,N-dimethylthiophene-3-carboxamide
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| Structure |
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| Formula |
C30H32N4O5S2
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| Molecular Weight |
592.743
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cc(cs1)C(=O)N(C)C
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| InChI |
InChI=1S/C30H32N4O5S2/c1-20-7-5-8-22(15-20)29(35)32-14-13-31-24-9-6-10-25(18-24)33-41(37,38)28-17-21(11-12-26(28)39-4)27-16-23(19-40-27)30(36)34(2)3/h5-12,15-19,31,33H,13-14H2,1-4H3,(H,32,35)
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| InChIKey |
RJVFPRRKAKVBCE-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