General Information of the Compound
| Compound ID |
CP0226491
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| Compound Name |
1-(3-chlorophenyl)-3-[2-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)ethyl]imidazolidin-2-one
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| Structure |
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| Formula |
C19H22ClN3OS
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| Molecular Weight |
375.925
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCN2CCCc3sccc3C2)C1=O
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| InChI |
InChI=1S/C19H22ClN3OS/c20-16-3-1-4-17(13-16)23-11-10-22(19(23)24)9-8-21-7-2-5-18-15(14-21)6-12-25-18/h1,3-4,6,12-13H,2,5,7-11,14H2
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| InChIKey |
KAEBDVFJWYJWBA-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