General Information of the Compound
| Compound ID |
CP0419300
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| Compound Name |
US9169240, 42
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| Structure |
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| Formula |
C24H26N4OS
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| Molecular Weight |
418.566
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| Canonical SMILES |
CC(C)(C)CN1CC(C1)c1nnc(Cc2nc3ccc(cc3s2)-c2ccccc2)o1
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| InChI |
InChI=1S/C24H26N4OS/c1-24(2,3)15-28-13-18(14-28)23-27-26-21(29-23)12-22-25-19-10-9-17(11-20(19)30-22)16-7-5-4-6-8-16/h4-11,18H,12-15H2,1-3H3
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| InChIKey |
ORSARLLUEVRNSE-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