General Information of the Compound
| Compound ID |
CP0487806
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| Compound Name |
4-[3-[(3R)-3-aminopiperidine-1-carbonyl]-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyrazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C21H22N6O3
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| Molecular Weight |
406.446
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| Canonical SMILES |
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1
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| InChI |
InChI=1S/C21H22N6O3/c1-14-9-18(30-25-14)13-29-20-10-19(21(28)26-8-2-3-16(23)12-26)24-27(20)17-6-4-15(11-22)5-7-17/h4-7,9-10,16H,2-3,8,12-13,23H2,1H3/t16-/m1/s1
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| InChIKey |
HTGUUUGYJLAXFV-MRXNPFEDSA-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