General Information of the Compound
| Compound ID |
CP0860016
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| Compound Name |
N-{2-[4-((S)-3-amino-7-(dimethylamino)heptanoyl)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 |
C34H46Cl2N6O5S
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| Molecular Weight |
721.752
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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)CCCCN(C)C)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C34H46Cl2N6O5S/c1-23-12-13-24-9-8-11-28(32(24)38-23)47-22-26-27(35)14-15-29(31(26)36)48(45,46)39-34(2,3)33(44)42-19-17-41(18-20-42)30(43)21-25(37)10-6-7-16-40(4)5/h8-9,11-15,25,39H,6-7,10,16-22,37H2,1-5H3/t25-/m0/s1
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| InChIKey |
ICRNGOZAIUNYAR-VWLOTQADSA-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