General Information of the Compound
| Compound ID |
CP0457191
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| Compound Name |
(2S,7R)-6-propyl-3,9,15-trioxa-6-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-triene
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| Structure |
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| Formula |
C16H21NO3
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| Molecular Weight |
275.348
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| Canonical SMILES |
CCCN1CCO[C@@H]2[C@H]1COc1cc3CCOc3cc21
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| InChI |
InChI=1S/C16H21NO3/c1-2-4-17-5-7-19-16-12-9-14-11(3-6-18-14)8-15(12)20-10-13(16)17/h8-9,13,16H,2-7,10H2,1H3/t13-,16+/m1/s1
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| InChIKey |
ZLSIXWCLVGKULN-CJNGLKHVSA-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