General Information of the Compound
| Compound ID |
CP0157291
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| Compound Name |
5-{4-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-phenyl}-nicotinonitrile
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| Structure |
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| Formula |
C34H30FN5O3
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| Molecular Weight |
575.644
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cncc(c3)C#N)CC2)C1=O
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| InChI |
InChI=1S/C34H30FN5O3/c1-43-30-7-4-6-29(18-30)40-32(41)34(39(33(40)42)23-27-5-2-3-8-31(27)35)13-15-38(16-14-34)22-24-9-11-26(12-10-24)28-17-25(19-36)20-37-21-28/h2-12,17-18,20-21H,13-16,22-23H2,1H3
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| InChIKey |
CUENABWMXANJQD-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