General Information of the Compound
| Compound ID |
CP0410002
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| Compound Name |
N-(1-benzylpiperidin-4-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
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| Structure |
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| Formula |
C25H28N2O4
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| Molecular Weight |
420.509
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| Canonical SMILES |
Cc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1
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| InChI |
InChI=1S/C25H28N2O4/c1-17-12-21(25-18(2)14-24(29)31-22(25)13-17)30-16-23(28)26-20-8-10-27(11-9-20)15-19-6-4-3-5-7-19/h3-7,12-14,20H,8-11,15-16H2,1-2H3,(H,26,28)
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| InChIKey |
DRFPTAZYYDAWFF-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: PT04108, Atypical chemokine receptor 3
Protein ID: PT06109, Geminin