General Information of the Compound
| Compound ID |
CP0475971
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| Compound Name |
(1S)-5-methoxy-14-(2-methylbutyl)-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
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| Structure |
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| Formula |
C21H27NO2S
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| Molecular Weight |
357.519
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| Canonical SMILES |
CCC(C)Cc1cc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2s1
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| InChI |
InChI=1S/C21H27NO2S/c1-4-13(2)7-16-8-15-12-22-6-5-14-9-20(24-3)19(23)10-17(14)18(22)11-21(15)25-16/h8-10,13,18,23H,4-7,11-12H2,1-3H3/t13?,18-/m0/s1
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| InChIKey |
BMFJFECGESTBHX-UWBLVGDVSA-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