General Information of the Compound
| Compound ID |
CP0563800
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| Compound Name |
US10047103, 308
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| Structure |
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| Formula |
C28H25N5O5S2
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| Molecular Weight |
575.672
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| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C28H25N5O5S2/c1-5-32(2)26(34)17-8-6-16(7-9-17)25-29-18(15-39-25)14-37-22-10-19(35-3)11-23-20(22)12-24(38-23)21-13-33-27(30-21)40-28(31-33)36-4/h6-13,15H,5,14H2,1-4H3
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| InChIKey |
LTEHNZUKJJSVIV-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