General Information of the Compound
| Compound ID |
CP0544390
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| Compound Name |
US8653100, 176
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| Structure |
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| Formula |
C27H30Cl2N2O4S
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| Molecular Weight |
549.52
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H30Cl2N2O4S/c1-2-17-36(33,34)31-15-16-35-24-12-3-19-13-14-30-26(25(19)18-24)27(32,20-4-8-22(28)9-5-20)21-6-10-23(29)11-7-21/h3-12,18,26,30-32H,2,13-17H2,1H3
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| InChIKey |
KQSLWPJABCHYCB-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