General Information of the Compound
| Compound ID |
CP0567693
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| Compound Name |
US9464076, 97
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| Structure |
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| Formula |
C26H25N3O4S
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| Molecular Weight |
475.57
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(cccc4n3)C(=O)N(C)C)c(C)c12
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| InChI |
InChI=1S/C26H25N3O4S/c1-14-22-16(13-33-5)9-10-17(15(2)30)24(22)34-23(14)25(31)28-21-12-11-18-19(26(32)29(3)4)7-6-8-20(18)27-21/h6-12H,13H2,1-5H3,(H,27,28,31)
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| InChIKey |
SSSKGJKYDMPVHB-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