General Information of the Compound
| Compound ID |
CP0407167
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| Compound Name |
US10047103, 317
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| Structure |
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| Formula |
C31H29N5O5S2
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| Molecular Weight |
615.737
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3C(C)CCC3C)cc(OC)cc2o1
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| InChI |
InChI=1S/C31H29N5O5S2/c1-17-5-6-18(2)36(17)29(37)20-9-7-19(8-10-20)28-32-21(16-42-28)15-40-25-11-22(38-3)12-26-23(25)13-27(41-26)24-14-35-30(33-24)43-31(34-35)39-4/h7-14,16-18H,5-6,15H2,1-4H3
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| InChIKey |
FWVKQLOMWSFHLI-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