General Information of the Compound
| Compound ID |
CP0552695
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| Compound Name |
8-[(2R)-4-[bis(4-fluorophenyl)methyl]-2-ethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
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| Structure |
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| Formula |
C29H27F2N5O
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| Molecular Weight |
499.565
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| Canonical SMILES |
CC[C@@H]1CN(CCN1c1cc(=O)n(C)c2ccc(nc12)C#N)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H27F2N5O/c1-3-24-18-35(29(19-4-8-21(30)9-5-19)20-6-10-22(31)11-7-20)14-15-36(24)26-16-27(37)34(2)25-13-12-23(17-32)33-28(25)26/h4-13,16,24,29H,3,14-15,18H2,1-2H3/t24-/m1/s1
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| InChIKey |
PWULEVRIMGHKCO-XMMPIXPASA-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