General Information of the Compound
| Compound ID |
CP0464615
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| Compound Name |
3-[3-Acetyl-4-(2,2-diphenyl-ethylamino)-benzenesulfonylamino]-N,N-bis-(3-dimethylamino-propyl)-propionamide
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| Structure |
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| Formula |
C35H49N5O4S
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| Molecular Weight |
635.875
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| Canonical SMILES |
CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(C)=O
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| InChI |
InChI=1S/C35H49N5O4S/c1-28(41)32-26-31(18-19-34(32)36-27-33(29-14-8-6-9-15-29)30-16-10-7-11-17-30)45(43,44)37-21-20-35(42)40(24-12-22-38(2)3)25-13-23-39(4)5/h6-11,14-19,26,33,36-37H,12-13,20-25,27H2,1-5H3
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| InChIKey |
YYWRROMFPAQEIX-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