General Information of the Compound
| Compound ID |
CP0904037
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| Compound Name |
cis-3-(azepan-1-ylmethyl)-5-(2-chlorophenyl)-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C18H25ClN2O
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| Molecular Weight |
320.864
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| Canonical SMILES |
CN1C(=O)[C@@H](CN2CCCCCC2)C[C@H]1c1ccccc1Cl
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| InChI |
InChI=1S/C18H25ClN2O/c1-20-17(15-8-4-5-9-16(15)19)12-14(18(20)22)13-21-10-6-2-3-7-11-21/h4-5,8-9,14,17H,2-3,6-7,10-13H2,1H3/t14-,17+/m1/s1
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| InChIKey |
ABSDZJZECNNANS-PBHICJAKSA-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