General Information of the Compound
| Compound ID |
CP0682483
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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-(2,4-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[C@@H](N)CCCN(C)C)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C34H46Cl2N6O5S/c1-22-19-23(2)38-32-25(22)10-7-11-28(32)47-21-26-27(35)12-13-29(31(26)36)48(45,46)39-34(3,4)33(44)42-17-15-41(16-18-42)30(43)20-24(37)9-8-14-40(5)6/h7,10-13,19,24,39H,8-9,14-18,20-21,37H2,1-6H3/t24-/m0/s1
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| InChIKey |
BYOMNESVGLGCIF-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
Protein ID: PT02392, B2 bradykinin receptor