General Information of the Compound
| Compound ID |
CP0459708
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| Compound Name |
CHEMBL3360650
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| Formula |
C19H23N3O2
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| Molecular Weight |
325.412
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| Canonical SMILES |
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1
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| InChI |
InChI=1S/C19H23N3O2/c1-13-11-17(15-5-3-2-4-6-15)22-19(21-13)20-12-14-7-9-16(10-8-14)18(23)24/h2-6,11,14,16H,7-10,12H2,1H3,(H,23,24)(H,20,21,22)/t14-,16-
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| InChIKey |
TUNZXWJWEIXKOO-KOMQPUFPSA-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