General Information of the Compound
| Compound ID |
CP0503618
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| Compound Name |
US8653100, 39
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| Structure |
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| Formula |
C28H38ClN3O4S
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| Molecular Weight |
548.149
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| Canonical SMILES |
CCCCS(=O)(=O)NCCOc1ccc2CCN(C(c2c1)C1(CCC1)c1ccc(Cl)cc1)C(=O)NCC
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| InChI |
InChI=1S/C28H38ClN3O4S/c1-3-5-19-37(34,35)31-16-18-36-24-12-7-21-13-17-32(27(33)30-4-2)26(25(21)20-24)28(14-6-15-28)22-8-10-23(29)11-9-22/h7-12,20,26,31H,3-6,13-19H2,1-2H3,(H,30,33)
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| InChIKey |
PCLUFALXXYZFSA-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