General Information of the Compound
| Compound ID |
CP0532119
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| Compound Name |
N-[(E)-[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methylideneamino]furan-2-carboxamide
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| Structure |
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| Formula |
C26H27ClN2O7
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| Molecular Weight |
514.962
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NC(=O)c3ccco3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C26H27ClN2O7/c1-2-34-18-8-5-15(6-9-18)12-17-13-16(7-10-19(17)27)25-24(32)23(31)22(30)21(36-25)14-28-29-26(33)20-4-3-11-35-20/h3-11,13-14,21-25,30-32H,2,12H2,1H3,(H,29,33)/b28-14+/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
TWKDQPWHYINVKJ-XMKGYDLGSA-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