General Information of the Compound
| Compound ID |
CP0573472
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| Compound Name |
2-(dimethylamino)-N-[2-[3-[[2-methoxy-5-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C35H39N5O5S
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| Molecular Weight |
641.794
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C35H39N5O5S/c1-39(2)31-15-5-4-14-30(31)34(41)37-19-18-36-28-12-9-13-29(24-28)38-46(43,44)33-23-26(16-17-32(33)45-3)25-10-8-11-27(22-25)35(42)40-20-6-7-21-40/h4-5,8-17,22-24,36,38H,6-7,18-21H2,1-3H3,(H,37,41)
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| InChIKey |
RNUXBGMNIFGXPW-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