General Information of the Compound
| Compound ID |
CP0449701
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| Compound Name |
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-1-amine
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| Structure |
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| Formula |
C28H24ClN5O2S
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| Molecular Weight |
530.053
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| Canonical SMILES |
Clc1ccc(Nc2nccc3cc(ccc23)N2CCS(=O)(=O)CC2)cc1-c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C28H24ClN5O2S/c29-25-9-6-21(17-24(25)28-31-18-26(33-28)19-4-2-1-3-5-19)32-27-23-8-7-22(16-20(23)10-11-30-27)34-12-14-37(35,36)15-13-34/h1-11,16-18H,12-15H2,(H,30,32)(H,31,33)
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| InChIKey |
UOIMGERGVYFCHZ-UHFFFAOYSA-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