General Information of the Compound
| Compound ID |
CP0859404
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| Compound Name |
1-{2-[5-(3-Chloro-phenyl)-1,1-dioxo-1lambda*6*-[1,2,5]thiadiazolidin-2-yl]-ethyl}-azepane
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| Structure |
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| Formula |
C16H24ClN3O2S
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| Molecular Weight |
357.907
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| Canonical SMILES |
O=S1(=O)N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H24ClN3O2S/c17-15-6-5-7-16(14-15)20-13-12-19(23(20,21)22)11-10-18-8-3-1-2-4-9-18/h5-7,14H,1-4,8-13H2
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| InChIKey |
VRQBYXDBZXNLRA-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