General Information of the Compound
| Compound ID |
CP0539018
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| Compound Name |
1-[4-[[(4E)-4-hydroxyimino-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl]oxymethyl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C24H23N3O4S
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| Molecular Weight |
449.532
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| Canonical SMILES |
CC(=O)N1CCC(COc2ccc3oc(c\c(=N/O)c3c2)-c2cc3sccc3cn2)CC1
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| InChI |
InChI=1S/C24H23N3O4S/c1-15(28)27-7-4-16(5-8-27)14-30-18-2-3-22-19(10-18)20(26-29)11-23(31-22)21-12-24-17(13-25-21)6-9-32-24/h2-3,6,9-13,16,29H,4-5,7-8,14H2,1H3/b26-20+
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| InChIKey |
TUWCJQPBWXKMFA-LHLOQNFPSA-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