General Information of the Compound
| Compound ID |
CP0515323
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| Compound Name |
US10047103, 151
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| Structure |
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| Formula |
C29H31N5O6S2
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| Molecular Weight |
609.73
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC(CC3)C(=O)N3CCCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H31N5O6S2/c1-37-19-11-22(20-13-24(40-23(20)12-19)21-14-34-27(31-21)42-28(32-34)38-2)39-15-18-16-41-26(30-18)29(36)7-5-17(6-8-29)25(35)33-9-3-4-10-33/h11-14,16-17,36H,3-10,15H2,1-2H3
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| InChIKey |
CANZBHVBEWKJFW-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