General Information of the Compound
| Compound ID |
CP0567104
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| Compound Name |
N-[2-[3-[[5-(3-tert-butylphenyl)-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-(dimethylamino)benzamide
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| Structure |
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| Formula |
C34H40N4O4S
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| Molecular Weight |
600.785
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(C)(C)C
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| InChI |
InChI=1S/C34H40N4O4S/c1-34(2,3)26-12-9-11-24(21-26)25-17-18-31(42-6)32(22-25)43(40,41)37-28-14-10-13-27(23-28)35-19-20-36-33(39)29-15-7-8-16-30(29)38(4)5/h7-18,21-23,35,37H,19-20H2,1-6H3,(H,36,39)
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| InChIKey |
CIKOUCMYGNIROY-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