General Information of the Compound
| Compound ID |
CP0252442
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| Compound Name |
4-amino-6-[[(1S)-1-[3-cyclopropyl-7-fluoro-1-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Formula |
C25H20F2N6O
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| Molecular Weight |
458.472
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1
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| InChI |
InChI=1S/C25H20F2N6O/c1-13(32-24-18(10-28)23(29)30-12-31-24)20-21(14-4-6-16(26)7-5-14)19-9-8-17(27)11-33(19)25(34)22(20)15-2-3-15/h4-9,11-13,15H,2-3H2,1H3,(H3,29,30,31,32)/t13-/m0/s1
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| InChIKey |
NOUKLDOKAFEANB-ZDUSSCGKSA-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