General Information of the Compound
| Compound ID |
CP0512733
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| Compound Name |
US9233953, 144
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| Structure |
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| Formula |
C24H26N2O3S2
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| Molecular Weight |
454.617
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| Canonical SMILES |
O=C(C1CCS(=O)(=O)CC1)N1CCN(CC1c1cccs1)c1cccc2ccccc12
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| InChI |
InChI=1S/C24H26N2O3S2/c27-24(19-10-15-31(28,29)16-11-19)26-13-12-25(17-22(26)23-9-4-14-30-23)21-8-3-6-18-5-1-2-7-20(18)21/h1-9,14,19,22H,10-13,15-17H2
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| InChIKey |
KJOMPEJABZPODX-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