General Information of the Compound
| Compound ID |
CP0636735
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| Compound Name |
cis-1-methyl-5-((1-methyl-1H-indol-5-yl)ethynyl)-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C22H27N3O
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| Molecular Weight |
349.478
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| Canonical SMILES |
CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2c(ccn2C)c1
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| InChI |
InChI=1S/C22H27N3O/c1-23-13-10-18-14-17(7-9-21(18)23)6-8-20-15-19(22(26)24(20)2)16-25-11-4-3-5-12-25/h7,9-10,13-14,19-20H,3-5,11-12,15-16H2,1-2H3/t19-,20-/m1/s1
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| InChIKey |
NBYYGODJBZAJJF-WOJBJXKFSA-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