General Information of the Compound
| Compound ID |
CP0716878
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| Compound Name |
(S)-6-(4-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)cyclohexyloxy)nicotinonitrile
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| Formula |
C19H23N5O2
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| Molecular Weight |
353.426
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| Canonical SMILES |
N#Cc1ccc(O[C@H]2CC[C@H](NCC(=O)N3CCC[C@H]3C#N)CC2)nc1
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| InChI |
InChI=1S/C19H23N5O2/c20-10-14-3-8-18(23-12-14)26-17-6-4-15(5-7-17)22-13-19(25)24-9-1-2-16(24)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2/t15-,16-,17-/m0/s1
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| InChIKey |
YCHHGVIQSNZGAO-ULQDDVLXSA-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