General Information of the Compound
| Compound ID |
CP0434140
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| Compound Name |
N-[3-[4-[[1-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]phenyl]acetamide
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| Structure |
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| Formula |
C36H35FN4O4
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| Molecular Weight |
606.698
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(NC(C)=O)c3)CC2)C1=O
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| InChI |
InChI=1S/C36H35FN4O4/c1-25(42)38-30-9-5-8-28(21-30)27-15-13-26(14-16-27)23-39-19-17-36(18-20-39)34(43)41(31-10-6-11-32(22-31)45-2)35(44)40(36)24-29-7-3-4-12-33(29)37/h3-16,21-22H,17-20,23-24H2,1-2H3,(H,38,42)
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| InChIKey |
RLLJIFQAPOMTDL-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