General Information of the Compound
| Compound ID |
CP0547451
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| Compound Name |
disodium;[5,6,7-trifluoro-3-[5-(propan-2-ylcarbamoyl)quinolin-2-yl]indol-1-yl]methyl phosphate
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| Formula |
C22H17F3N3Na2O5P
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| Molecular Weight |
537.342
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| Canonical SMILES |
[Na+].[Na+].CC(C)NC(=O)c1cccc2nc(ccc12)-c1cn(COP([O-])([O-])=O)c2c(F)c(F)c(F)cc12
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| InChI |
InChI=1S/C22H19F3N3O5P.2Na/c1-11(2)26-22(29)13-4-3-5-17-12(13)6-7-18(27-17)15-9-28(10-33-34(30,31)32)21-14(15)8-16(23)19(24)20(21)25;;/h3-9,11H,10H2,1-2H3,(H,26,29)(H2,30,31,32);;/q;2*+1/p-2
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| InChIKey |
OADNWDUZANEWSZ-UHFFFAOYSA-L
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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