General Information of the Compound
| Compound ID |
CP0852087
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| Compound Name |
6-(Bis-allylamino)-3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)isochroman-1-one HCl
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| Structure |
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| Formula |
C25H30Cl2N2O2
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| Molecular Weight |
461.433
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| Canonical SMILES |
C=CCN(CC=C)c1ccc2c(c1)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O.Cl
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| InChI |
InChI=1S/C25H29ClN2O2.ClH/c1-5-14-28(15-6-2)22-11-12-23-19(17-22)18-25(30-24(23)29,13-16-27(3)4)20-7-9-21(26)10-8-20;/h5-12,17H,1-2,13-16,18H2,3-4H3;1H
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| InChIKey |
NBYPUTKIYOPVHE-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