General Information of the Compound
| Compound ID |
CP0926171
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| Compound Name |
3-(3-Bis-allylaminophenyl)-3-(2-dimethylaminoethyl)isochroman-1-one HCl
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| Structure |
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| Formula |
C25H31ClN2O2
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| Molecular Weight |
426.988
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| Canonical SMILES |
C=CCN(CC=C)c1cccc(C2(CCN(C)C)Cc3ccccc3C(=O)O2)c1.Cl
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| InChI |
InChI=1S/C25H30N2O2.ClH/c1-5-15-27(16-6-2)22-12-9-11-21(18-22)25(14-17-26(3)4)19-20-10-7-8-13-23(20)24(28)29-25;/h5-13,18H,1-2,14-17,19H2,3-4H3;1H
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| InChIKey |
QSIHNHRZRFKYCL-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