General Information of the Compound
| Compound ID |
CP0378903
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| Compound Name |
6-Chloro-4-[1-(3-phenyl-allyl)-piperidin-4-ylamino]-chromen-2-one
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| Structure |
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| Formula |
C23H23ClN2O2
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| Molecular Weight |
394.902
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| Canonical SMILES |
Clc1ccc2oc(=O)cc(NC3CCN(C\C=C\c4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C23H23ClN2O2/c24-18-8-9-22-20(15-18)21(16-23(27)28-22)25-19-10-13-26(14-11-19)12-4-7-17-5-2-1-3-6-17/h1-9,15-16,19,25H,10-14H2/b7-4+
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| InChIKey |
HMDKIXQRZGNMNZ-QPJJXVBHSA-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