General Information of the Compound
| Compound ID |
CP0559222
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| Compound Name |
2-[4-methoxy-3-[[3-[2-[(3-methylbenzoyl)amino]ethylamino]phenyl]sulfamoyl]phenyl]-N,N-dimethylpyridine-4-carboxamide
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| Structure |
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| Formula |
C31H33N5O5S
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| Molecular Weight |
587.702
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cc(ccn1)C(=O)N(C)C
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| InChI |
InChI=1S/C31H33N5O5S/c1-21-7-5-8-23(17-21)30(37)34-16-15-32-25-9-6-10-26(20-25)35-42(39,40)29-19-22(11-12-28(29)41-4)27-18-24(13-14-33-27)31(38)36(2)3/h5-14,17-20,32,35H,15-16H2,1-4H3,(H,34,37)
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| InChIKey |
AWWLPLGGILQPKC-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