General Information of the Compound
| Compound ID |
CP0429361
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| Compound Name |
1,2-dihydroacenaphthylen-5-yl-[1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl]methanone
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| Structure |
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| Formula |
C25H26N2O
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| Molecular Weight |
370.496
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| Canonical SMILES |
Cc1cccc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)n1
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| InChI |
InChI=1S/C25H26N2O/c1-17-5-2-8-21(26-17)16-27-14-4-7-20(15-27)25(28)23-13-12-19-11-10-18-6-3-9-22(23)24(18)19/h2-3,5-6,8-9,12-13,20H,4,7,10-11,14-16H2,1H3
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| InChIKey |
DESFKVDNHFKWMY-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3