General Information of the Compound
| Compound ID |
CP0522669
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| Compound Name |
8-(3'-acetyl-biphenyl-4-ylmethyl)-1-(2-fluoro-benzyl)-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 |
C36H34FN3O4
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| Molecular Weight |
591.683
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C(C)=O)CC2)C1=O
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| InChI |
InChI=1S/C36H34FN3O4/c1-25(41)28-8-5-9-29(21-28)27-15-13-26(14-16-27)23-38-19-17-36(18-20-38)34(42)40(31-10-6-11-32(22-31)44-2)35(43)39(36)24-30-7-3-4-12-33(30)37/h3-16,21-22H,17-20,23-24H2,1-2H3
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| InChIKey |
SIRWJQPRPKEEGY-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