General Information of the Compound
| Compound ID |
CP0434934
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| Compound Name |
3,4-dichloro-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)benzamide
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| Structure |
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| Formula |
C19H16Cl2N2O3
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| Molecular Weight |
391.254
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1O)C#N
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| InChI |
InChI=1S/C19H16Cl2N2O3/c1-19(2)17(24)16(12-7-10(9-22)3-6-15(12)26-19)23-18(25)11-4-5-13(20)14(21)8-11/h3-8,16-17,24H,1-2H3,(H,23,25)/t16-,17+/m1/s1
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| InChIKey |
ZPTXVIWXGDGGTD-SJORKVTESA-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