General Information of the Compound
| Compound ID |
CP0451684
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| Compound Name |
3-({4'-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-biphenyl-3-yl}-methyl-amino)-propionitrile
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| Structure |
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| Formula |
C38H38FN5O3
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| Molecular Weight |
631.752
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)N(C)CCC#N)CC2)C1=O
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| InChI |
InChI=1S/C38H38FN5O3/c1-41(21-7-20-40)32-10-5-9-30(24-32)29-16-14-28(15-17-29)26-42-22-18-38(19-23-42)36(45)44(33-11-6-12-34(25-33)47-2)37(46)43(38)27-31-8-3-4-13-35(31)39/h3-6,8-17,24-25H,7,18-19,21-23,26-27H2,1-2H3
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| InChIKey |
RTZVESTWCBELHS-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