General Information of the Compound
| Compound ID |
CP0559223
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| Compound Name |
2-methoxy-N-[3-[2-[(3-methylbenzoyl)amino]ethylamino]phenyl]-5-[3-[methyl(pyridin-4-ylmethyl)carbamoyl]phenyl]benzamide
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| Structure |
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| Formula |
C38H37N5O4
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| Molecular Weight |
627.745
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| Canonical SMILES |
COc1ccc(cc1C(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)Cc1ccncc1
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| InChI |
InChI=1S/C38H37N5O4/c1-26-7-4-9-30(21-26)36(44)41-20-19-40-32-11-6-12-33(24-32)42-37(45)34-23-29(13-14-35(34)47-3)28-8-5-10-31(22-28)38(46)43(2)25-27-15-17-39-18-16-27/h4-18,21-24,40H,19-20,25H2,1-3H3,(H,41,44)(H,42,45)
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| InChIKey |
TWAJJKNZPTXWJK-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