General Information of the Compound
| Compound ID |
CP0812652
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| Compound Name |
rac-1-[2-[trans-4-(3-Methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]-pyridin-4-yl)cyclohexyl]acetyl]pyrrolidine-3-carbonitrile
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| Formula |
C20H25N5O2
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| Molecular Weight |
367.453
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C#N)C4)CC3)c12
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| InChI |
InChI=1S/C20H25N5O2/c1-12-19-16(9-17(26)22-20(19)24-23-12)15-4-2-13(3-5-15)8-18(27)25-7-6-14(10-21)11-25/h9,13-15H,2-8,11H2,1H3,(H2,22,23,24,26)/t13-,14?,15-
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| InChIKey |
KPXXFEZEPOYJNU-XDDQGNLKSA-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