General Information of the Compound
| Compound ID |
CP0549897
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| Compound Name |
N-[2-[3-[[2-methoxy-5-[3-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C38H39N5O5S
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| Molecular Weight |
677.827
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)CCc1ccccn1
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| InChI |
InChI=1S/C38H39N5O5S/c1-27-9-6-11-30(23-27)37(44)41-21-20-40-33-14-8-15-34(26-33)42-49(46,47)36-25-29(16-17-35(36)48-3)28-10-7-12-31(24-28)38(45)43(2)22-18-32-13-4-5-19-39-32/h4-17,19,23-26,40,42H,18,20-22H2,1-3H3,(H,41,44)
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| InChIKey |
ZHBHQVFZEHBCQK-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