General Information of the Compound
| Compound ID |
CP0430443
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| Compound Name |
4-[[3-(3-bromophenyl)-2-isoxazolin-5-yl]methyl]-N-(cyclohexylmethyl)isonipecotamide
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| Structure |
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| Formula |
C23H32BrN3O2
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| Molecular Weight |
462.432
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| Canonical SMILES |
Brc1cccc(c1)C1=NOC(CC2(CCNCC2)C(=O)NCC2CCCCC2)C1
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| InChI |
InChI=1S/C23H32BrN3O2/c24-19-8-4-7-18(13-19)21-14-20(29-27-21)15-23(9-11-25-12-10-23)22(28)26-16-17-5-2-1-3-6-17/h4,7-8,13,17,20,25H,1-3,5-6,9-12,14-16H2,(H,26,28)
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| InChIKey |
JWAWTMWKNWPVAO-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: PT06109, Geminin
Protein ID: PT06033, Microphthalmia-associated transcription factor