General Information of the Compound
| Compound ID |
CP0515322
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| Compound Name |
US10047103, 154
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| Structure |
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| Formula |
C29H25ClN4O5S2
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| Molecular Weight |
609.129
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)c3ccc(Cl)cc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25ClN4O5S2/c1-35-20-11-23(21-13-25(39-24(21)12-20)22-14-34-27(32-22)41-28(33-34)36-2)38-15-19-16-40-26(31-19)29(7-9-37-10-8-29)17-3-5-18(30)6-4-17/h3-6,11-14,16H,7-10,15H2,1-2H3
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| InChIKey |
NWBGHLJAAGHVAF-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