General Information of the Compound
| Compound ID |
CP0203549
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| Compound Name |
6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyrimidine-4-carboxylic Acid
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| Structure |
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| Formula |
C25H18Cl2N6O4
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| Molecular Weight |
537.363
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| Canonical SMILES |
CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1cc(ncn1)C(O)=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C25H18Cl2N6O4/c1-31-24(37)33(18-7-16(26)6-17(27)8-18)23(36)25(31)12-32(21-9-20(22(34)35)29-13-30-21)11-19(25)15-4-2-14(10-28)3-5-15/h2-9,13,19H,11-12H2,1H3,(H,34,35)/t19-,25+/m0/s1
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| InChIKey |
KNCARWQABJNUDQ-UQBPGWFLSA-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