General Information of the Compound
| Compound ID |
CP0917083
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| Compound Name |
3-(piperidin-1-yl)propyl 4-amino-5-chloro-2-methoxybenzoate hydrochloride
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| Structure |
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| Formula |
C16H24Cl2N2O3
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| Molecular Weight |
363.285
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1.Cl
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| InChI |
InChI=1S/C16H23ClN2O3.ClH/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19;/h10-11H,2-9,18H2,1H3;1H
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| InChIKey |
QLZLBYYNMGQIAR-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