General Information of the Compound
| Compound ID |
CP0899635
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| Compound Name |
(4aR,10aR)-4-Allyl-3,4,4a,5,10,10a-hexahydro-2H-naphtho[2,3-b][1,4]oxazin-9-ol hydrochloride
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| Structure |
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| Formula |
C15H20ClNO2
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| Molecular Weight |
281.783
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| Canonical SMILES |
C=CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21.Cl
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| InChI |
InChI=1S/C15H19NO2.ClH/c1-2-6-16-7-8-18-15-10-12-11(9-13(15)16)4-3-5-14(12)17;/h2-5,13,15,17H,1,6-10H2;1H/t13-,15-;/m1./s1
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| InChIKey |
YNQAZTXVGQIQRN-SWYZXDRTSA-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