General Information of the Compound
| Compound ID |
CP0494751
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| Compound Name |
9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-9lambda*4*-thia-1-aza-phenanthren-6-ol
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| Structure |
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| Formula |
C14H19NO3S
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| Molecular Weight |
281.377
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| Canonical SMILES |
CCCN1CCOC2C1CS(=O)c1ccc(O)cc21
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| InChI |
InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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| InChIKey |
LMWAUEIFLCRUHZ-UHFFFAOYSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor