General Information of the Compound
| Compound ID |
CP0067696
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| Compound Name |
(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol;hydrochloride
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| Synonyms |
(1R)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride
(1r)-1-(aminomethyl)-3-(tricyclo[3.3.1.13,7]dec-1-yl)-3,4-dihydro-1h-isochromene-5,6-diol hydrochloride(1:1)
145307-34-2
1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-tricyclo(3.3.1.1(3,7))dec-1-yl-, hydrochloride, (1R-cis)-
3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride
A 77636
A77636
AC1L21MK
AC1Q3F7L
C20H27NO3.HCl
LS-173243
UNII-WA6RGP1J4W
WA6RGP1J4W
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| Structure |
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| Formula |
C20H27NO3
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| Molecular Weight |
329.44
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| Canonical SMILES |
NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
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| InChIKey |
QLJOSZATCBCBDR-DFKUFRTHSA-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
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound