General Information of the Compound
| Compound ID |
CP0886581
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| Compound Name |
SID85804015
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| Structure |
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| Formula |
C33H36N4O6S2
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| Molecular Weight |
648.807
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)c4ccc(-c5nccs5)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
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| InChI |
InChI=1S/C33H36N4O6S2/c1-21-8-14-26(15-9-21)45(41,42)36(4)19-29-22(2)18-37(23(3)20-38)33(40)27-6-5-7-28(30(27)43-29)35-31(39)24-10-12-25(13-11-24)32-34-16-17-44-32/h5-17,22-23,29,38H,18-20H2,1-4H3,(H,35,39)/t22-,23-,29-/m0/s1
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| InChIKey |
LTEPOUOXWPDTDR-BOSRLCDASA-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