General Information of the Compound
| Compound ID |
CP0767078
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| Compound Name |
N-{2-[4-((S)-3-amino-6-(dimethylamino)hexanoyl)piperazin-1-yl]-1,1-dimethyl-2-oxoethyl}-2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C33H44Cl2N6O5S
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| Molecular Weight |
707.725
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)C[C@@H](N)CCCN(C)C)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C33H44Cl2N6O5S/c1-22-11-12-23-8-6-10-27(31(23)37-22)46-21-25-26(34)13-14-28(30(25)35)47(44,45)38-33(2,3)32(43)41-18-16-40(17-19-41)29(42)20-24(36)9-7-15-39(4)5/h6,8,10-14,24,38H,7,9,15-21,36H2,1-5H3/t24-/m0/s1
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| InChIKey |
NSSOKQCGRWKWIV-DEOSSOPVSA-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