General Information of the Compound
| Compound ID |
CP0544557
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| Compound Name |
N-[2-[3-[[5-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C34H39N5O5S
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| Molecular Weight |
629.783
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)NCCN(C)C
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| InChI |
InChI=1S/C34H39N5O5S/c1-24-8-5-10-27(20-24)33(40)36-17-16-35-29-12-7-13-30(23-29)38-45(42,43)32-22-26(14-15-31(32)44-4)25-9-6-11-28(21-25)34(41)37-18-19-39(2)3/h5-15,20-23,35,38H,16-19H2,1-4H3,(H,36,40)(H,37,41)
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| InChIKey |
BZLLPQORIPMPMN-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