General Information of the Compound
| Compound ID |
CP0412284
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| Compound Name |
(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
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| Structure |
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| Formula |
C16H20ClN5O
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| Molecular Weight |
333.823
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| Canonical SMILES |
Nc1nc(Cl)cc(NC[C@@H](O)CN2CCc3ccccc3C2)n1
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| InChI |
InChI=1S/C16H20ClN5O/c17-14-7-15(21-16(18)20-14)19-8-13(23)10-22-6-5-11-3-1-2-4-12(11)9-22/h1-4,7,13,23H,5-6,8-10H2,(H3,18,19,20,21)/t13-/m1/s1
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| InChIKey |
REZFQUKILVPYIW-CYBMUJFWSA-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