General Information of the Compound
| Compound ID |
CP0968909
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| Compound Name |
2-(Aminomethyl)-7-(4-benzoylpiperazin-1-yl)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C21H22ClN3O3
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| Molecular Weight |
399.878
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| Canonical SMILES |
Cl.NCc1cc(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2o1
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| InChI |
InChI=1S/C21H21N3O3.ClH/c22-14-17-13-19(25)18-7-6-16(12-20(18)27-17)23-8-10-24(11-9-23)21(26)15-4-2-1-3-5-15;/h1-7,12-13H,8-11,14,22H2;1H
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| InChIKey |
IOHUDPYQXDHHCO-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