General Information of the Compound
| Compound ID |
CP0452436
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| Compound Name |
N-tert-butyl-2-chloro-N'-(4-pentylbenzoyl)benzohydrazide
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| Structure |
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| Formula |
C23H29ClN2O2
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| Molecular Weight |
400.95
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| Canonical SMILES |
CCCCCc1ccc(cc1)C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C
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| InChI |
InChI=1S/C23H29ClN2O2/c1-5-6-7-10-17-13-15-18(16-14-17)21(27)25-26(23(2,3)4)22(28)19-11-8-9-12-20(19)24/h8-9,11-16H,5-7,10H2,1-4H3,(H,25,27)
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| InChIKey |
WDOUSRDVKPFXSK-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