General Information of the Compound
| Compound ID |
CP0081678
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| Compound Name |
4-chloro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-isoquinolin-6-ylpyridin-2-yl]phenol
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| Structure |
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| Formula |
C28H22ClN3O2
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| Molecular Weight |
467.956
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| Canonical SMILES |
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1
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| InChI |
InChI=1S/C28H22ClN3O2/c29-22-8-9-27(34)25(13-22)28-24(20-6-7-21-15-30-11-10-19(21)12-20)14-23(16-31-28)32-26(17-33)18-4-2-1-3-5-18/h1-16,26,32-34H,17H2/t26-/m0/s1
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| InChIKey |
UMBIRSZUCJNBHB-SANMLTNESA-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