General Information of the Compound
| Compound ID |
CP0548588
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| Compound Name |
US8653100, 82
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| Structure |
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| Formula |
C25H33ClN2O3S
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| Molecular Weight |
477.07
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| Canonical SMILES |
CCCNS(=O)(=O)CCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H33ClN2O3S/c1-2-14-28-32(29,30)17-4-16-31-22-10-5-19-11-15-27-24(23(19)18-22)25(12-3-13-25)20-6-8-21(26)9-7-20/h5-10,18,24,27-28H,2-4,11-17H2,1H3
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| InChIKey |
ONSIMIIELDCPCL-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