General Information of the Compound
| Compound ID |
CP0903337
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| Compound Name |
4-(4-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)thiazol-2-yl)tetrahydro-2H-pyran-4-amine hydrochloride
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| Structure |
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| Formula |
C23H24ClN5O5S2
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| Molecular Weight |
550.062
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| Canonical SMILES |
COc1cc(OCc2csc(C3(N)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.Cl
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| InChI |
InChI=1S/C23H23N5O5S2.ClH/c1-29-14-7-17(32-11-13-12-34-20(25-13)23(24)3-5-31-6-4-23)15-9-19(33-18(15)8-14)16-10-28-21(26-16)35-22(27-28)30-2;/h7-10,12H,3-6,11,24H2,1-2H3;1H
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| InChIKey |
CYAIYRLQXDCHNU-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