General Information of the Compound
| Compound ID |
CP0449040
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| Compound Name |
4'-[3-(3-methoxy-phenyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-biphenyl-3-carbonitrile
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| Structure |
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| Formula |
C28H26N4O3
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| Molecular Weight |
466.541
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)NC2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O
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| InChI |
InChI=1S/C28H26N4O3/c1-35-25-7-3-6-24(17-25)32-26(33)28(30-27(32)34)12-14-31(15-13-28)19-20-8-10-22(11-9-20)23-5-2-4-21(16-23)18-29/h2-11,16-17H,12-15,19H2,1H3,(H,30,34)
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| InChIKey |
UIFGIQVGOAIGMN-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