General Information of the Compound
| Compound ID |
CP0006680
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| Compound Name |
CHEBI:38451
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| Structure |
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| Formula |
C18H19ClN2O2
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| Molecular Weight |
330.815
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| Canonical SMILES |
CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)
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| InChIKey |
CNKHSLKYRMDDNQ-UHFFFAOYSA-N
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| CAS |
112226-61-6
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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
Protein ID: PT06098, Ecdysone receptor
Protein ID: PT00632, Ecdysone receptor