General Information of the Compound
| Compound ID |
CP0229652
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| Compound Name |
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
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| Structure |
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| Formula |
C19H14N6O
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| Molecular Weight |
342.362
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| Canonical SMILES |
O=C(Nc1cnn(Cc2cccc(c2)C#N)c1)c1n[nH]c2ccccc12
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| InChI |
InChI=1S/C19H14N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h1-8,10,12H,11H2,(H,22,26)(H,23,24)
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| InChIKey |
QOSKBOUKENYWAA-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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