General Information of the Compound
| Compound ID |
CP0462872
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| Compound Name |
US9120798, Comparator 3
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| Structure |
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| Formula |
C29H36N4O2S
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| Molecular Weight |
504.7
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| Canonical SMILES |
COC(=O)c1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3ccccc23)nc1C
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| InChI |
InChI=1S/C29H36N4O2S/c1-20-25(26(34)35-5)36-27(30-20)31-22-11-7-9-13-24(22)33-19-29(21-10-6-8-12-23(21)33)14-16-32(17-15-29)18-28(2,3)4/h6-13H,14-19H2,1-5H3,(H,30,31)
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| InChIKey |
YZLZNKMDLFOCFV-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