General Information of the Compound
| Compound ID |
CP0549419
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| Compound Name |
2,4-diamino-6-[[(1S)-1-[7-fluoro-1-(4-methoxyphenyl)-4-oxo-3-phenylquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C29H24FN7O2
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| Molecular Weight |
521.556
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| Canonical SMILES |
COc1ccc(cc1)-c1c([C@H](C)Nc2nc(N)nc(N)c2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12
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| InChI |
InChI=1S/C29H24FN7O2/c1-16(34-27-21(14-31)26(32)35-29(33)36-27)23-24(18-8-11-20(39-2)12-9-18)22-13-10-19(30)15-37(22)28(38)25(23)17-6-4-3-5-7-17/h3-13,15-16H,1-2H3,(H5,32,33,34,35,36)/t16-/m0/s1
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| InChIKey |
BQCMIJCXWCRQBL-INIZCTEOSA-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