General Information of the Compound
| Compound ID |
CP0912513
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| Compound Name |
SID131411840
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| Structure |
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| Formula |
C35H50ClN3O7S
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| Molecular Weight |
692.319
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| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[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/C35H50ClN3O7S/c1-24-21-39(25(2)23-40)35(42)31-20-29(37-47(43,44)30-16-13-28(36)14-17-30)15-18-32(31)46-26(3)10-8-9-19-45-33(24)22-38(4)34(41)27-11-6-5-7-12-27/h13-18,20,24-27,33,37,40H,5-12,19,21-23H2,1-4H3/t24-,25+,26-,33+/m1/s1
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| InChIKey |
YKSLXRUXKLNNEB-PIMCHDTMSA-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