General Information of the Compound
| Compound ID |
CP0857034
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| Compound Name |
SID87539575
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| Structure |
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| Formula |
C36H47Cl2N3O6S
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| Molecular Weight |
720.76
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1
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| InChI |
InChI=1S/C36H47Cl2N3O6S/c1-24-9-13-30(14-10-24)48(44,45)39-29-12-16-34-31(19-29)36(43)41(26(3)23-42)20-25(2)35(46-17-7-6-8-27(4)47-34)22-40(5)21-28-11-15-32(37)33(38)18-28/h9-16,18-19,25-27,35,39,42H,6-8,17,20-23H2,1-5H3/t25-,26-,27+,35+/m0/s1
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| InChIKey |
ISGWUMSRLISZDA-JALBGMRZSA-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