General Information of the Compound
| Compound ID |
CP0551697
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| Compound Name |
N-[3-[(1S,3S,4S,7S,9S)-9-(3-benzamidophenyl)-3,9-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decan-3-yl]phenyl]-2-methoxybenzamide
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| Structure |
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| Formula |
C35H33N3O6
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| Molecular Weight |
591.664
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| Canonical SMILES |
COc1ccccc1C(=O)Nc1cccc(c1)[C@]1(C)O[C@@H]2N3[C@H](CO[C@@H]13)O[C@@]2(C)c1cccc(NC(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C35H33N3O6/c1-34(23-13-9-16-26(19-23)37-31(40)27-17-7-8-18-28(27)41-3)32-38-29(21-42-32)43-35(2,33(38)44-34)24-14-10-15-25(20-24)36-30(39)22-11-5-4-6-12-22/h4-20,29,32-33H,21H2,1-3H3,(H,36,39)(H,37,40)/t29-,32-,33-,34-,35-/m0/s1
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| InChIKey |
PENNQVRJCWPIOY-VYKSXFOXSA-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