General Information of the Compound
| Compound ID |
CP0462816
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| Compound Name |
US8901315, 110
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| Structure |
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| Formula |
C24H31N5O3S2
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| Molecular Weight |
501.678
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)c1
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| InChI |
InChI=1S/C24H31N5O3S2/c1-17-21-16-22(33-24(21)29(26-17)19-8-4-3-5-9-19)23(30)25-18-7-6-10-20(15-18)34(31,32)28-13-11-27(2)12-14-28/h6-7,10,15-16,19H,3-5,8-9,11-14H2,1-2H3,(H,25,30)
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| InChIKey |
QJIAPMFFINLBBQ-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