General Information of the Compound
| Compound ID |
CP0403082
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| Compound Name |
4'-[3-(3-methoxy-phenyl)-1-methyl-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 |
C29H28N4O3
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| Molecular Weight |
480.568
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(C)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O
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| InChI |
InChI=1S/C29H28N4O3/c1-31-28(35)33(25-7-4-8-26(18-25)36-2)27(34)29(31)13-15-32(16-14-29)20-21-9-11-23(12-10-21)24-6-3-5-22(17-24)19-30/h3-12,17-18H,13-16,20H2,1-2H3
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| InChIKey |
CHWCVBBTOICABI-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