General Information of the Compound
| Compound ID |
CP0500636
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| Compound Name |
(6aS,13bS)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepine-4,12-diol
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| Structure |
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| Formula |
C19H20ClNO2
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| Molecular Weight |
329.827
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| Canonical SMILES |
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(O)cccc21
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| InChI |
InChI=1S/C19H20ClNO2/c1-21-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-17(22)12(13)5-6-16(19)21/h2-4,9-10,16,19,22-23H,5-8H2,1H3/t16-,19+/m0/s1
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| InChIKey |
RANYBZPZDFYJIV-QFBILLFUSA-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor