General Information of the Compound
| Compound ID |
CP0373711
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| Compound Name |
4'-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-biphenyl-4-carbonitrile
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| Structure |
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| Formula |
C35H31FN4O3
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| Molecular Weight |
574.656
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccc(cc3)C#N)CC2)C1=O
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| InChI |
InChI=1S/C35H31FN4O3/c1-43-31-7-4-6-30(21-31)40-33(41)35(39(34(40)42)24-29-5-2-3-8-32(29)36)17-19-38(20-18-35)23-26-11-15-28(16-12-26)27-13-9-25(22-37)10-14-27/h2-16,21H,17-20,23-24H2,1H3
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| InChIKey |
DWZMRXKNJUFLCA-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