General Information of the Compound
| Compound ID |
CP0440780
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| Compound Name |
N'-tert-butyl-N'-(2-chloro-3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
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| Structure |
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| Formula |
C24H29ClN2O3
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| Molecular Weight |
428.96
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| Canonical SMILES |
Cc1cc(C)c(Cl)c(c1)C(=O)N(NC(=O)c1ccc2OCCCc2c1C)C(C)(C)C
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| InChI |
InChI=1S/C24H29ClN2O3/c1-14-12-15(2)21(25)19(13-14)23(29)27(24(4,5)6)26-22(28)18-9-10-20-17(16(18)3)8-7-11-30-20/h9-10,12-13H,7-8,11H2,1-6H3,(H,26,28)
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| InChIKey |
SPIZWORIBFYOLU-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
Protein ID: PT06098, Ecdysone receptor
Protein ID: PT00632, Ecdysone receptor