General Information of the Compound
| Compound ID |
CP0495828
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| Compound Name |
US9340555, 44
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| Structure |
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| Formula |
C30H31F2N5O5S
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| Molecular Weight |
611.671
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCNC(=O)OC(C)(C)C)cc2F)c1
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| InChI |
InChI=1S/C30H31F2N5O5S/c1-17-6-8-19(31)22(14-17)37-28(39)36-21-9-7-18(15-20(21)32)41-24-10-13-33-23-16-25(43-26(23)24)27(38)34-11-5-12-35-29(40)42-30(2,3)4/h6-10,13-16H,5,11-12H2,1-4H3,(H,34,38)(H,35,40)(H2,36,37,39)
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| InChIKey |
AYYQSTSOQKYLOS-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