General Information of the Compound
| Compound ID |
CP0432237
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| Compound Name |
3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
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| Structure |
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| Formula |
C17H16N6O
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| Molecular Weight |
320.356
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| Canonical SMILES |
C1CCC(C1)c1noc2cc(Nc3n[nH]c4nccnc34)ccc12
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| InChI |
InChI=1S/C17H16N6O/c1-2-4-10(3-1)14-12-6-5-11(9-13(12)24-23-14)20-17-15-16(21-22-17)19-8-7-18-15/h5-10H,1-4H2,(H2,19,20,21,22)
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| InChIKey |
YBYJCNBWSAQMHK-UHFFFAOYSA-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