General Information of the Compound
| Compound ID |
CP0573763
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| Compound Name |
US10047103, 267
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| Structure |
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| Formula |
C27H23N5O3S
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| Molecular Weight |
497.58
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| Canonical SMILES |
COc1cc(OCc2csc(Nc3cccc(C)c3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H23N5O3S/c1-16-5-4-6-18(9-16)28-27-29-19(15-36-27)14-34-23-10-20(33-3)11-24-21(23)12-25(35-24)22-13-32-26(30-22)8-7-17(2)31-32/h4-13,15H,14H2,1-3H3,(H,28,29)
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| InChIKey |
YFNDBACUKXAKEX-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