General Information of the Compound
| Compound ID |
CP0486525
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| Compound Name |
US10047103, 49
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| Structure |
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| Formula |
C27H23N5O5S2
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| Molecular Weight |
561.645
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| Canonical SMILES |
CNC(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)c(C)s1
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| InChI |
InChI=1S/C27H23N5O5S2/c1-14-20(29-25(38-14)16-7-5-15(6-8-16)24(33)28-2)13-36-21-9-17(34-3)10-22-18(21)11-23(37-22)19-12-32-26(30-19)39-27(31-32)35-4/h5-12H,13H2,1-4H3,(H,28,33)
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| InChIKey |
CXMAQMKRKKXXJI-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