General Information of the Compound
| Compound ID |
CP0497815
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| Compound Name |
US10047103, 306
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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 |
CCNC(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C27H23N5O5S2/c1-4-28-24(33)15-5-7-16(8-6-15)25-29-17(14-38-25)13-36-21-9-18(34-2)10-22-19(21)11-23(37-22)20-12-32-26(30-20)39-27(31-32)35-3/h5-12,14H,4,13H2,1-3H3,(H,28,33)
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| InChIKey |
IMBXPUPQJUFTMT-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