General Information of the Compound
| Compound ID |
CP0559224
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| Compound Name |
2-(dimethylamino)-N-[1-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]propan-2-yl]benzamide
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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(NCC(C)NC(=O)c2ccccc2N(C)C)c1)-c1cccc(c1)C(=O)N(C)C
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| InChI |
InChI=1S/C34H39N5O5S/c1-23(36-33(40)29-15-7-8-16-30(29)38(2)3)22-35-27-13-10-14-28(21-27)37-45(42,43)32-20-25(17-18-31(32)44-6)24-11-9-12-26(19-24)34(41)39(4)5/h7-21,23,35,37H,22H2,1-6H3,(H,36,40)
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| InChIKey |
NLCKGCWJWABOKP-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