General Information of the Compound
| Compound ID |
CP0636068
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| Compound Name |
(S)-1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(phenylamino)pyridin-2(1H)-one
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
O=c1cc(Nc2ccccc2)ccn1C[C@@H](O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H25N3O2/c27-22(16-25-12-10-18-6-4-5-7-19(18)15-25)17-26-13-11-21(14-23(26)28)24-20-8-2-1-3-9-20/h1-9,11,13-14,22,24,27H,10,12,15-17H2/t22-/m0/s1
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| InChIKey |
JPWCFWRCXQIJQU-QFIPXVFZSA-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