General Information of the Compound
| Compound ID |
CP0546504
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| Compound Name |
2,4-diamino-6-[[(1S)-1-[3-cyclopropyl-7-fluoro-1-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Formula |
C25H21F2N7O
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| Molecular Weight |
473.487
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| Canonical SMILES |
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1
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| InChI |
InChI=1S/C25H21F2N7O/c1-12(31-23-17(10-28)22(29)32-25(30)33-23)19-20(13-4-6-15(26)7-5-13)18-9-8-16(27)11-34(18)24(35)21(19)14-2-3-14/h4-9,11-12,14H,2-3H2,1H3,(H5,29,30,31,32,33)/t12-/m0/s1
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| InChIKey |
XIUIUAIBUGUGRX-LBPRGKRZSA-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