General Information of the Compound
| Compound ID |
CP0574301
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| Compound Name |
1-[4-[(4E)-4-hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-6-yl]oxypiperidin-1-yl]ethanone
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| Structure |
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| Formula |
C23H22N4O4
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| Molecular Weight |
418.453
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| Canonical SMILES |
CC(=O)N1CCC(CC1)Oc1ccc2oc(c\c(=N/O)c2c1)-c1cc2cccn2cn1
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| InChI |
InChI=1S/C23H22N4O4/c1-15(28)26-9-6-17(7-10-26)30-18-4-5-22-19(12-18)20(25-29)13-23(31-22)21-11-16-3-2-8-27(16)14-24-21/h2-5,8,11-14,17,29H,6-7,9-10H2,1H3/b25-20+
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| InChIKey |
ZSPNRUJCFZDUPV-LKUDQCMESA-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