General Information of the Compound
| Compound ID |
CP0407156
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| Compound Name |
US10047103, 102
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| Structure |
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| Formula |
C25H28N6O6S3
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| Molecular Weight |
604.736
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCN(CC3)S(=O)(=O)C(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H28N6O6S3/c1-15(2)40(32,33)30-7-5-29(6-8-30)23-26-16(14-38-23)13-36-20-9-17(34-3)10-21-18(20)11-22(37-21)19-12-31-24(27-19)39-25(28-31)35-4/h9-12,14-15H,5-8,13H2,1-4H3
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| InChIKey |
KCFABGDGMFFCNI-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