General Information of the Compound
| Compound ID |
CP0514453
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| Compound Name |
5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C19H17N7O
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| Molecular Weight |
359.393
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| Canonical SMILES |
Cn1cc(cn1)-c1nc(no1)C1(CC1)c1ccc(cc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C19H17N7O/c1-26-11-14(10-23-26)16-24-17(25-27-16)19(6-7-19)15-4-2-12(3-5-15)13-8-21-18(20)22-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,22)
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| InChIKey |
QUMBJVLZNXZUMW-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