General Information of the Compound
| Compound ID |
CP0800203
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| Compound Name |
N-{2-[4-((S)-2-amino-6-(dimethylamino)hexanoyl)piperazin-1-yl]-1,1-dimethyl-2-oxoethyl}-2,4-dichloro-3-(2,4-dimethylquinolin-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 |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)[C@@H](N)CCCCN(C)C)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C34H46Cl2N6O5S/c1-22-20-23(2)38-31-24(22)10-9-12-28(31)47-21-25-26(35)13-14-29(30(25)36)48(45,46)39-34(3,4)33(44)42-18-16-41(17-19-42)32(43)27(37)11-7-8-15-40(5)6/h9-10,12-14,20,27,39H,7-8,11,15-19,21,37H2,1-6H3/t27-/m0/s1
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| InChIKey |
JGUBUKWSOPEYMS-MHZLTWQESA-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: PT02392, B2 bradykinin receptor