General Information of the Compound
| Compound ID |
CP0403083
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| Compound Name |
1-(2-fluoro-benzyl)-8-(3'-hydroxy-biphenyl-4-ylmethyl)-3-(3-methoxy-phenyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C34H32FN3O4
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| Molecular Weight |
565.645
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(O)c3)CC2)C1=O
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| InChI |
InChI=1S/C34H32FN3O4/c1-42-30-10-5-8-28(21-30)38-32(40)34(37(33(38)41)23-27-6-2-3-11-31(27)35)16-18-36(19-17-34)22-24-12-14-25(15-13-24)26-7-4-9-29(39)20-26/h2-15,20-21,39H,16-19,22-23H2,1H3
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| InChIKey |
CKNAYIGNFCNTLX-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