General Information of the Compound
| Compound ID |
CP0544562
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| Compound Name |
2-(dimethylamino)-N-[2-[3-[[5-[3-[(dimethylamino)methyl]phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C33H39N5O4S
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| Molecular Weight |
601.773
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(CN(C)C)c1
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| InChI |
InChI=1S/C33H39N5O4S/c1-37(2)23-24-10-8-11-25(20-24)26-16-17-31(42-5)32(21-26)43(40,41)36-28-13-9-12-27(22-28)34-18-19-35-33(39)29-14-6-7-15-30(29)38(3)4/h6-17,20-22,34,36H,18-19,23H2,1-5H3,(H,35,39)
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| InChIKey |
BPEUXQBJONDZHF-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