General Information of the Compound
| Compound ID |
CP0573294
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| Compound Name |
CHEMBL4798578
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| Formula |
C28H24ClF3N6O2
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| Molecular Weight |
568.987
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
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| InChI |
InChI=1S/C28H24ClF3N6O2/c1-15-2-5-18(36-27(40)17-3-10-22(29)21(13-17)28(30,31)32)12-16(15)4-11-23-24-25(33)34-14-35-26(24)38(37-23)19-6-8-20(39)9-7-19/h2-3,5,10,12-14,19-20,39H,6-9H2,1H3,(H,36,40)(H2,33,34,35)/t19-,20-
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| InChIKey |
LSOXRTZMAQVATA-MXVIHJGJSA-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