General Information of the Compound
| Compound ID |
CP0576973
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| Compound Name |
US9428456, 3.010
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| Structure |
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| Formula |
C23H30ClN3O2S
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| Molecular Weight |
448.032
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2csc(NC(=O)Cc3ccccc3Cl)c2)CC1
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| InChI |
InChI=1S/C23H30ClN3O2S/c1-23(2,3)26-22(29)17-8-10-27(11-9-17)14-16-12-21(30-15-16)25-20(28)13-18-6-4-5-7-19(18)24/h4-7,12,15,17H,8-11,13-14H2,1-3H3,(H,25,28)(H,26,29)
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| InChIKey |
XHDPTXMFMUYWCD-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