General Information of the Compound
| Compound ID |
CP0141781
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| Compound Name |
(2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-cyano-pyridin-2-yl)piperidin-4-yl)glycyl)pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C21H24N6O
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| Molecular Weight |
376.464
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| Canonical SMILES |
CC1(CCN(CC1)c1ccc(cn1)C#N)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
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| InChI |
InChI=1S/C21H24N6O/c1-3-17-5-6-18(13-23)27(17)20(28)15-25-21(2)8-10-26(11-9-21)19-7-4-16(12-22)14-24-19/h1,4,7,14,17-18,25H,5-6,8-11,15H2,2H3/t17-,18-/m0/s1
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| InChIKey |
OZWDMNVFECDCCS-ROUUACIJSA-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