General Information of the Compound
| Compound ID |
CP0955477
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| Compound Name |
2-(aminomethyl)-6-(piperidine-1-carbonyl)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C16H19ClN2O3
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| Molecular Weight |
322.792
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| Canonical SMILES |
Cl.NCc1cc(=O)c2cc(C(=O)N3CCCCC3)ccc2o1
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| InChI |
InChI=1S/C16H18N2O3.ClH/c17-10-12-9-14(19)13-8-11(4-5-15(13)21-12)16(20)18-6-2-1-3-7-18;/h4-5,8-9H,1-3,6-7,10,17H2;1H
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| InChIKey |
TWHOCYKSJNFYCI-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