General Information of the Compound
| Compound ID |
CP0480152
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| Compound Name |
4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-piperidino-propyl]-5,7-dimethoxy-coumarin
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| Structure |
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| Formula |
C31H39NO6
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| Molecular Weight |
521.654
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| Canonical SMILES |
CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
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| InChI |
InChI=1S/C31H39NO6/c1-4-5-7-10-22-18-28(33)38-31-29(22)26(34-2)19-27(35-3)30(31)23(13-16-32-14-8-6-9-15-32)21-11-12-24-25(17-21)37-20-36-24/h11-12,17-19,23H,4-10,13-16,20H2,1-3H3
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| InChIKey |
QVXVWLQXQKIEKW-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: PT06124, Paired box protein Pax-8