General Information of the Compound
| Compound ID |
CP0420217
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| Compound Name |
US10047103, 279
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| Structure |
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| Formula |
C22H21N5O3S
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| Molecular Weight |
435.509
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N(C)C)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C22H21N5O3S/c1-13-5-6-21-24-17(10-27(21)25-13)20-9-16-18(7-15(28-4)8-19(16)30-20)29-11-14-12-31-22(23-14)26(2)3/h5-10,12H,11H2,1-4H3
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| InChIKey |
QEACRDISRMCOAF-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