General Information of the Compound
| Compound ID |
CP0454572
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| Compound Name |
5-(cyclopropylmethyl)-7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-8-methylnaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C28H25N3O4
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| Molecular Weight |
467.525
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| Canonical SMILES |
Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(CC2CC2)c2ccc(cc12)C#N
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| InChI |
InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33)
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| InChIKey |
VAFJQCGXOLTBQY-UHFFFAOYSA-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