General Information of the Compound
| Compound ID |
CP0440622
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| Compound Name |
CHEMBL498197
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| Formula |
C19H17N3O2
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| Molecular Weight |
319.364
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| Canonical SMILES |
O=C1O[C@@]2(CC[C@@H](CC2)c2nc3ncccc3[nH]2)c2ccccc12
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| InChI |
InChI=1S/C19H17N3O2/c23-18-13-4-1-2-5-14(13)19(24-18)9-7-12(8-10-19)16-21-15-6-3-11-20-17(15)22-16/h1-6,11-12H,7-10H2,(H,20,21,22)/t12-,19+
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| InChIKey |
USLMZJYYMQBCLK-HHCCDPJTSA-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