General Information of the Compound
| Compound ID |
CP0439707
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| Compound Name |
4'-[1-cyclohexylmethyl-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 |
C35H38N4O3
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| Molecular Weight |
562.714
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(CC2CCCCC2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O
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| InChI |
InChI=1S/C35H38N4O3/c1-42-32-12-6-11-31(22-32)39-33(40)35(38(34(39)41)25-26-7-3-2-4-8-26)17-19-37(20-18-35)24-27-13-15-29(16-14-27)30-10-5-9-28(21-30)23-36/h5-6,9-16,21-22,26H,2-4,7-8,17-20,24-25H2,1H3
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| InChIKey |
XRAIEMIUXLRUHU-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