General Information of the Compound
| Compound ID |
CP0473214
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| Compound Name |
methyl 6-hydroxy-6-[2-(3-methylphenyl)ethynyl]-3,3a,4,5,7,7a-hexahydro-1H-isoindole-2-carboxylate
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| Structure |
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
COC(=O)N1CC2CCC(O)(CC2C1)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C19H23NO3/c1-14-4-3-5-15(10-14)6-8-19(22)9-7-16-12-20(18(21)23-2)13-17(16)11-19/h3-5,10,16-17,22H,7,9,11-13H2,1-2H3
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| InChIKey |
KSUZOHBQEQTOLO-UHFFFAOYSA-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