General Information of the Compound
| Compound ID |
CP0474356
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| Compound Name |
US10047103, 44
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| Structure |
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| Formula |
C29H27N5O5S2
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| Molecular Weight |
589.699
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| Canonical SMILES |
CCc1sc(nc1COc1cc(OC)cc2oc(cc12)-c1cn2nc(OC)sc2n1)-c1ccc(cc1)C(=O)N(C)C
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| InChI |
InChI=1S/C29H27N5O5S2/c1-6-25-21(30-26(40-25)16-7-9-17(10-8-16)27(35)33(2)3)15-38-22-11-18(36-4)12-23-19(22)13-24(39-23)20-14-34-28(31-20)41-29(32-34)37-5/h7-14H,6,15H2,1-5H3
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| InChIKey |
BKKXFHYCELTMFP-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