General Information of the Compound
| Compound ID |
CP0472012
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| Compound Name |
US10047103, 224
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| Structure |
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| Formula |
C27H19N5O3S
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| Molecular Weight |
493.548
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccc(cc2)C#N)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H19N5O3S/c1-16-3-8-26-30-22(13-32(26)31-16)25-11-21-23(9-20(33-2)10-24(21)35-25)34-14-19-15-36-27(29-19)18-6-4-17(12-28)5-7-18/h3-11,13,15H,14H2,1-2H3
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| InChIKey |
QUXPXDNVAYJRGA-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