General Information of the Compound
| Compound ID |
CP0434507
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| Compound Name |
1-[(2S)-3-(2-chloro-4-methoxyphenoxy)-2-hydroxy-2-methylpropanoyl]-2,3-dihydroindole-4-carbonitrile
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| Structure |
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| Formula |
C20H19ClN2O4
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| Molecular Weight |
386.835
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| Canonical SMILES |
COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(Cl)c1
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| InChI |
InChI=1S/C20H19ClN2O4/c1-20(25,12-27-18-7-6-14(26-2)10-16(18)21)19(24)23-9-8-15-13(11-22)4-3-5-17(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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| InChIKey |
XMRGVTPFJVXUMB-FQEVSTJZSA-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