General Information of the Compound
| Compound ID |
CP0942472
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| Compound Name |
SID131410361
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| Structure |
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| Formula |
C35H46ClN3O8S2
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| Molecular Weight |
736.353
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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)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)O3)cc1
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| InChI |
InChI=1S/C35H46ClN3O8S2/c1-24-9-14-30(15-10-24)48(42,43)37-29-13-18-33-32(20-29)35(41)39(26(3)23-40)21-25(2)34(46-19-7-6-8-27(4)47-33)22-38(5)49(44,45)31-16-11-28(36)12-17-31/h9-18,20,25-27,34,37,40H,6-8,19,21-23H2,1-5H3/t25-,26+,27-,34+/m1/s1
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| InChIKey |
LTBMLRZREJTXIR-VUYBWUDLSA-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