General Information of the Compound
| Compound ID |
CP0385458
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| Compound Name |
US10047103, 250
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| Structure |
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| Formula |
C24H22N6O3S
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| Molecular Weight |
474.546
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N(C)CCC#N)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C24H22N6O3S/c1-15-5-6-23-27-19(12-30(23)28-15)22-11-18-20(9-17(31-3)10-21(18)33-22)32-13-16-14-34-24(26-16)29(2)8-4-7-25/h5-6,9-12,14H,4,8,13H2,1-3H3
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| InChIKey |
VACUDRJTKMGMPF-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