General Information of the Compound
| Compound ID |
CP0577351
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| Compound Name |
US9428456, 2.075
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| Structure |
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| Formula |
C24H31N3O2S
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| Molecular Weight |
425.598
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1
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| InChI |
InChI=1S/C24H31N3O2S/c28-23(25-20-7-2-1-3-8-20)19-11-13-27(14-12-19)17-18-6-4-9-21(16-18)26-24(29)22-10-5-15-30-22/h4-6,9-10,15-16,19-20H,1-3,7-8,11-14,17H2,(H,25,28)(H,26,29)
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| InChIKey |
YDLISZOJJJELQQ-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