General Information of the Compound
| Compound ID |
CP0472496
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| Compound Name |
US9518064, Example 103
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| Structure |
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| Formula |
C22H19N5O4S
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| Molecular Weight |
449.492
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)C3CC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H19N5O4S/c1-28-14-7-17(30-11-13-5-6-23-20(24-13)12-3-4-12)15-9-19(31-18(15)8-14)16-10-27-21(25-16)32-22(26-27)29-2/h5-10,12H,3-4,11H2,1-2H3
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| InChIKey |
CDLOSHLDDSCHKX-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