General Information of the Compound
| Compound ID |
CP0480718
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| Compound Name |
(1S)-5-methoxy-14-propyl-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 |
C19H23NO2S
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| Molecular Weight |
329.465
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| Canonical SMILES |
CCCc1cc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2s1
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| InChI |
InChI=1S/C19H23NO2S/c1-3-4-14-7-13-11-20-6-5-12-8-18(22-2)17(21)9-15(12)16(20)10-19(13)23-14/h7-9,16,21H,3-6,10-11H2,1-2H3/t16-/m0/s1
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| InChIKey |
BZUCYSTYXVHZSB-INIZCTEOSA-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