General Information of the Compound
| Compound ID |
CP0021153
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| Compound Name |
N-[(R)-cyclopropyl-(3-fluoropyridin-4-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C18H15FN6O
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| Molecular Weight |
350.357
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| Canonical SMILES |
Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1
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| InChI |
InChI=1S/C18H15FN6O/c19-14-9-20-7-5-12(14)15(10-3-4-10)23-18-25-24-17(26-18)13-8-22-16-11(13)2-1-6-21-16/h1-2,5-10,15H,3-4H2,(H,21,22)(H,23,25)/t15-/m1/s1
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| InChIKey |
RYHDTMIFZDAZSM-OAHLLOKOSA-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