General Information of the Compound
| Compound ID |
CP0572516
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| Compound Name |
2-(dimethylamino)-N-[2-[3-[[2-methoxy-5-[3-(piperidine-1-carbonyl)phenyl]phenyl]sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C36H41N5O5S
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| Molecular Weight |
655.821
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C36H41N5O5S/c1-40(2)32-16-6-5-15-31(32)35(42)38-20-19-37-29-13-10-14-30(25-29)39-47(44,45)34-24-27(17-18-33(34)46-3)26-11-9-12-28(23-26)36(43)41-21-7-4-8-22-41/h5-6,9-18,23-25,37,39H,4,7-8,19-22H2,1-3H3,(H,38,42)
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| InChIKey |
GISVSZPKNJCVCN-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