General Information of the Compound
| Compound ID |
CP0549899
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| Compound Name |
N-[2-[3-[[5-[3-(diethylamino)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-(dimethylamino)benzamide
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| Structure |
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| Formula |
C34H41N5O4S
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| Molecular Weight |
615.8
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| Canonical SMILES |
CCN(CC)c1cccc(c1)-c1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1
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| InChI |
InChI=1S/C34H41N5O4S/c1-6-39(7-2)29-15-10-12-25(22-29)26-18-19-32(43-5)33(23-26)44(41,42)37-28-14-11-13-27(24-28)35-20-21-36-34(40)30-16-8-9-17-31(30)38(3)4/h8-19,22-24,35,37H,6-7,20-21H2,1-5H3,(H,36,40)
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| InChIKey |
DRWABAQNYIWVBP-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