General Information of the Compound
| Compound ID |
CP0682479
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| Compound Name |
N-{1-[4-((S)-3-amino-6-guanidino-hexanoyl)-piperazine-1-carbonyl]-cyclopentyl}-2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonamide
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| Structure |
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| Formula |
C35H46Cl2N8O5S
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| Molecular Weight |
761.777
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)C[C@@H](N)CCCNC(=N)N)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C35H46Cl2N8O5S/c1-22-19-23(2)42-32-25(22)8-5-9-28(32)50-21-26-27(36)10-11-29(31(26)37)51(48,49)43-35(12-3-4-13-35)33(47)45-17-15-44(16-18-45)30(46)20-24(38)7-6-14-41-34(39)40/h5,8-11,19,24,43H,3-4,6-7,12-18,20-21,38H2,1-2H3,(H4,39,40,41)/t24-/m0/s1
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| InChIKey |
COEYQHHSXLKKSG-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