General Information of the Compound
| Compound ID |
CP0848961
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| Compound Name |
(alphaR,1S)-trans-cyano(6-methoxynaphthalen-2-yl)methyl)3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
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| Structure |
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| Formula |
C21H19Cl2NO3
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| Molecular Weight |
404.293
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| Canonical SMILES |
COc1ccc2cc([C@H](C#N)OC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)ccc2c1
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| InChI |
InChI=1S/C21H19Cl2NO3/c1-21(2)16(10-18(22)23)19(21)20(25)27-17(11-24)14-5-4-13-9-15(26-3)7-6-12(13)8-14/h4-10,16-17,19H,1-3H3/t16-,17-,19+/m0/s1
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| InChIKey |
ZSZVYNGBRKTWKV-JENIJYKNSA-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