General Information of the Compound
| Compound ID |
CP0547095
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| Compound Name |
N-[2-[3-[[5-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C35H41N5O5S
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| Molecular Weight |
643.81
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)CCN(C)C
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| InChI |
InChI=1S/C35H41N5O5S/c1-25-9-6-11-28(21-25)34(41)37-18-17-36-30-13-8-14-31(24-30)38-46(43,44)33-23-27(15-16-32(33)45-5)26-10-7-12-29(22-26)35(42)40(4)20-19-39(2)3/h6-16,21-24,36,38H,17-20H2,1-5H3,(H,37,41)
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| InChIKey |
TTYBEFMUPWUSJY-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