General Information of the Compound
| Compound ID |
CP0800200
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| Compound Name |
2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-N-{1-[4-(6-guanidino-hexanoyl)-piperazine-1-carbonyl]-cyclopentyl}-benzenesulfonamide
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| Structure |
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| Formula |
C35H45Cl2N7O5S
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| Molecular Weight |
746.762
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCCCNC(=N)N)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C35H45Cl2N7O5S/c1-23-21-24(2)41-32-25(23)9-8-10-28(32)49-22-26-27(36)12-13-29(31(26)37)50(47,48)42-35(14-5-6-15-35)33(46)44-19-17-43(18-20-44)30(45)11-4-3-7-16-40-34(38)39/h8-10,12-13,21,42H,3-7,11,14-20,22H2,1-2H3,(H4,38,39,40)
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| InChIKey |
BQIHVDDBUCQADT-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