General Information of the Compound
| Compound ID |
CP0563795
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| Compound Name |
US10047103, 296
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| Structure |
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| Formula |
C29H25N5O5S2
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| Molecular Weight |
587.683
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CC=C)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25N5O5S2/c1-5-10-33(2)27(35)18-8-6-17(7-9-18)26-30-19(16-40-26)15-38-23-11-20(36-3)12-24-21(23)13-25(39-24)22-14-34-28(31-22)41-29(32-34)37-4/h5-9,11-14,16H,1,10,15H2,2-4H3
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| InChIKey |
SJWDPPAGMQEQTE-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