General Information of the Compound
| Compound ID |
CP0967782
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| Compound Name |
(E)-N-(Chroman-7-methyl)-N-methyl-3-(4-biphenyl)prop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C26H28ClNO
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| Molecular Weight |
405.969
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| Canonical SMILES |
CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2.Cl
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| InChI |
InChI=1S/C26H27NO.ClH/c1-27(20-22-13-16-25-10-6-18-28-26(25)19-22)17-5-7-21-11-14-24(15-12-21)23-8-3-2-4-9-23;/h2-5,7-9,11-16,19H,6,10,17-18,20H2,1H3;1H/b7-5+;
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| InChIKey |
GCSGNRQFRNFANE-GZOLSCHFSA-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