General Information of the Compound
| Compound ID |
CP0535601
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| Compound Name |
US8653100, 56
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| Structure |
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| Formula |
C28H39ClN4O5S2
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| Molecular Weight |
611.23
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H39ClN4O5S2/c1-2-20-39(34,35)32-15-17-33(18-16-32)40(36,37)31-14-19-38-25-9-4-22-10-13-30-27(26(22)21-25)28(11-3-12-28)23-5-7-24(29)8-6-23/h4-9,21,27,30-31H,2-3,10-20H2,1H3
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| InChIKey |
VXWNNKSIVAUJQF-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