General Information of the Compound
| Compound ID |
CP0570467
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| Compound Name |
US8653100, 194
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| Structure |
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| Formula |
C28H40ClN3O3S
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| Molecular Weight |
534.166
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| Canonical SMILES |
CCN(CC)CCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H40ClN3O3S/c1-3-32(4-2)18-6-20-36(33,34)31-17-19-35-25-12-7-22-13-16-30-27(26(22)21-25)28(14-5-15-28)23-8-10-24(29)11-9-23/h7-12,21,27,30-31H,3-6,13-20H2,1-2H3
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| InChIKey |
JJKBINGTQKJVAP-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