General Information of the Compound
| Compound ID |
CP0876563
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| Compound Name |
(4aS,10aS)-4-Cyclo-propylmethyl-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 |
C16H22ClNO2
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| Molecular Weight |
295.81
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| Canonical SMILES |
Cl.Oc1cccc2c1C[C@@H]1OCCN(CC3CC3)[C@H]1C2
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| InChI |
InChI=1S/C16H21NO2.ClH/c18-15-3-1-2-12-8-14-16(9-13(12)15)19-7-6-17(14)10-11-4-5-11;/h1-3,11,14,16,18H,4-10H2;1H/t14-,16-;/m0./s1
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| InChIKey |
XOZDSEZZQVQIED-DMLYUBSXSA-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