General Information of the Compound
| Compound ID |
CP0463162
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| Compound Name |
4'-[1-cyclohexyl-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 |
C34H36N4O3
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| Molecular Weight |
548.687
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(C2CCCCC2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O
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| InChI |
InChI=1S/C34H36N4O3/c1-41-31-12-6-11-30(22-31)37-32(39)34(38(33(37)40)29-9-3-2-4-10-29)17-19-36(20-18-34)24-25-13-15-27(16-14-25)28-8-5-7-26(21-28)23-35/h5-8,11-16,21-22,29H,2-4,9-10,17-20,24H2,1H3
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| InChIKey |
YFVVMTOTCLZMMV-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