General Information of the Compound
| Compound ID |
CP0417744
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| Compound Name |
N-tert-butyl-N'-(4-butylbenzoyl)-2-chloro-3,5-dimethylbenzohydrazide
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| Structure |
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| Formula |
C24H31ClN2O2
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| Molecular Weight |
414.977
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| Canonical SMILES |
CCCCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1Cl)C(C)(C)C
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| InChI |
InChI=1S/C24H31ClN2O2/c1-7-8-9-18-10-12-19(13-11-18)22(28)26-27(24(4,5)6)23(29)20-15-16(2)14-17(3)21(20)25/h10-15H,7-9H2,1-6H3,(H,26,28)
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| InChIKey |
WVTHKGZASIXDOJ-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: PT00632, Ecdysone receptor
Protein ID: PT06098, Ecdysone receptor