General Information of the Compound
| Compound ID |
CP0321881
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| Compound Name |
US9340555, 46
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| Structure |
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| Formula |
C29H27F2N5O6S
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| Molecular Weight |
611.627
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| Canonical SMILES |
CCNC(=O)[C@H](CCC(O)=O)NC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C29H27F2N5O6S/c1-3-32-27(39)20(8-9-25(37)38)34-28(40)24-14-22-26(43-24)23(10-11-33-22)42-16-5-7-19(18(31)13-16)35-29(41)36-21-12-15(2)4-6-17(21)30/h4-7,10-14,20H,3,8-9H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)(H2,35,36,41)/t20-/m0/s1
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| InChIKey |
YRRMMKGGWYWJCD-FQEVSTJZSA-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