General Information of the Compound
| Compound ID |
CP0406532
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| Compound Name |
1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-[4-(6-methyl-pyridin-3-yl)-benzyl]-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C34H33FN4O3
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| Molecular Weight |
564.661
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccc(C)nc3)CC2)C1=O
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| InChI |
InChI=1S/C34H33FN4O3/c1-24-10-13-27(21-36-24)26-14-11-25(12-15-26)22-37-18-16-34(17-19-37)32(40)39(29-7-5-8-30(20-29)42-2)33(41)38(34)23-28-6-3-4-9-31(28)35/h3-15,20-21H,16-19,22-23H2,1-2H3
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| InChIKey |
PIUQYOUZNARGQR-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