General Information of the Compound
| Compound ID |
CP0885651
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| Compound Name |
SID131412372
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| Structure |
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| Formula |
C36H46ClN3O8S
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| Molecular Weight |
716.297
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1
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| InChI |
InChI=1S/C36H46ClN3O8S/c1-24-19-40(25(2)22-41)36(42)31-18-29(38-49(43,44)30-12-9-28(37)10-13-30)11-15-32(31)48-26(3)7-5-6-16-45-35(24)21-39(4)20-27-8-14-33-34(17-27)47-23-46-33/h8-15,17-18,24-26,35,38,41H,5-7,16,19-23H2,1-4H3/t24-,25-,26+,35+/m0/s1
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| InChIKey |
XMCNJBIDJBGVOV-YUAZXLJXSA-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