General Information of the Compound
| Compound ID |
CP0501021
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| Compound Name |
US10047103, 292
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| Structure |
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| Formula |
C30H26N6O5S2
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| Molecular Weight |
614.709
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| Canonical SMILES |
CCN(CCC#N)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C30H26N6O5S2/c1-4-35(11-5-10-31)28(37)19-8-6-18(7-9-19)27-32-20(17-42-27)16-40-24-12-21(38-2)13-25-22(24)14-26(41-25)23-15-36-29(33-23)43-30(34-36)39-3/h6-9,12-15,17H,4-5,11,16H2,1-3H3
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| InChIKey |
YUSJRPQZXKKYOI-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