General Information of the Compound
| Compound ID |
CP0546855
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| Compound Name |
(NE)-N-[6-[[1-(2-methylpyridin-3-yl)piperidin-4-yl]methyl]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C28H26N4O2S
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| Molecular Weight |
482.609
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| Canonical SMILES |
Cc1ncccc1N1CCC(Cc2ccc3oc(c\c(=N/O)c3c2)-c2cc3sccc3cn2)CC1
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| InChI |
InChI=1S/C28H26N4O2S/c1-18-25(3-2-9-29-18)32-10-6-19(7-11-32)13-20-4-5-26-22(14-20)23(31-33)15-27(34-26)24-16-28-21(17-30-24)8-12-35-28/h2-5,8-9,12,14-17,19,33H,6-7,10-11,13H2,1H3/b31-23+
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| InChIKey |
VQGXAVGEXNIDRU-UQRQXUALSA-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