General Information of the Compound
| Compound ID |
CP0897059
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| Compound Name |
SID131412503
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| Structure |
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| Formula |
C34H44ClN3O8S2
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| Molecular Weight |
722.326
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O
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| InChI |
InChI=1S/C34H44ClN3O8S2/c1-24-21-38(25(2)23-39)34(40)31-20-28(36-47(41,42)29-16-13-27(35)14-17-29)15-18-32(31)46-26(3)10-8-9-19-45-33(24)22-37(4)48(43,44)30-11-6-5-7-12-30/h5-7,11-18,20,24-26,33,36,39H,8-10,19,21-23H2,1-4H3/t24-,25+,26-,33-/m0/s1
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| InChIKey |
AFIPPTVZZVNDIJ-CEMVDLCSSA-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