General Information of the Compound
| Compound ID |
CP0940977
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| Compound Name |
SID85805102
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| Structure |
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| Formula |
C34H48N4O10S2
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| Molecular Weight |
736.91
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
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| InChI |
InChI=1S/C34H48N4O10S2/c1-22-19-38(23(2)21-39)34(40)30-18-27(36-49(41,42)33-25(4)35-48-26(33)5)11-16-31(30)47-24(3)10-8-9-17-46-32(22)20-37(6)50(43,44)29-14-12-28(45-7)13-15-29/h11-16,18,22-24,32,36,39H,8-10,17,19-21H2,1-7H3/t22-,23-,24-,32-/m1/s1
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| InChIKey |
PPXJXHKRZRHSLE-JNOFGXDLSA-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