General Information of the Compound
| Compound ID |
CP0483252
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| Compound Name |
US9464076, 36
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| Structure |
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| Formula |
C29H31N3O4S
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| Molecular Weight |
517.651
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(CN4CCC(O)CC4)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C29H31N3O4S/c1-17-26-19(16-36-3)8-9-22(18(2)33)28(26)37-27(17)29(35)31-25-14-20(15-32-12-10-21(34)11-13-32)23-6-4-5-7-24(23)30-25/h4-9,14,21,34H,10-13,15-16H2,1-3H3,(H,30,31,35)
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| InChIKey |
YWHCRGBKJJQZMJ-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