General Information of the Compound
| Compound ID |
CP0555513
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| Compound Name |
US9434711, 103
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| Structure |
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| Formula |
C25H30N2O4S2
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| Molecular Weight |
486.659
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CC1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H30N2O4S2/c1-18-21-14-8-9-15-22(21)32-23(18)27(33(29,30)20-12-6-5-7-13-20)17-19-11-10-16-26(19)24(28)31-25(2,3)4/h5-9,12-15,19H,10-11,16-17H2,1-4H3
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| InChIKey |
VJKXCJMHGDOILK-UHFFFAOYSA-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