General Information of the Compound
| Compound ID |
CP0560529
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| Compound Name |
5-[(3R)-3-aminopiperidin-1-yl]-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
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| Formula |
C17H19N7O2
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| Molecular Weight |
353.386
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| Canonical SMILES |
N[C@@H]1CCCN(C1)c1cc(Nc2ccccc2[N+]([O-])=O)n2nccc2n1
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| InChI |
InChI=1S/C17H19N7O2/c18-12-4-3-9-22(11-12)16-10-17(23-15(21-16)7-8-19-23)20-13-5-1-2-6-14(13)24(25)26/h1-2,5-8,10,12,20H,3-4,9,11,18H2/t12-/m1/s1
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| InChIKey |
UIQWKYCWZIOIOT-GFCCVEGCSA-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