General Information of the Compound
| Compound ID |
CP0428052
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| Compound Name |
4-{1-[((E)-3-Phenyl)-allyl]-piperidin-4-ylamino}-chromen-2-one
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| Structure |
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| Formula |
C23H24N2O2
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| Molecular Weight |
360.457
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| Canonical SMILES |
O=c1cc(NC2CCN(C\C=C\c3ccccc3)CC2)c2ccccc2o1
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| InChI |
InChI=1S/C23H24N2O2/c26-23-17-21(20-10-4-5-11-22(20)27-23)24-19-12-15-25(16-13-19)14-6-9-18-7-2-1-3-8-18/h1-11,17,19,24H,12-16H2/b9-6+
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| InChIKey |
FIRKPDSIWCEKFV-RMKNXTFCSA-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