General Information of the Compound
| Compound ID |
CP0462795
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| Compound Name |
US10047103, 307
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| Structure |
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| Formula |
C29H28N6O5S2
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| Molecular Weight |
604.714
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)NCCN(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H28N6O5S2/c1-34(2)10-9-30-26(36)17-5-7-18(8-6-17)27-31-19(16-41-27)15-39-23-11-20(37-3)12-24-21(23)13-25(40-24)22-14-35-28(32-22)42-29(33-35)38-4/h5-8,11-14,16H,9-10,15H2,1-4H3,(H,30,36)
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| InChIKey |
WJVXJQZBLSCHQL-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