General Information of the Compound
| Compound ID |
CP0413868
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| Compound Name |
MLS000732759
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| Structure |
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| Formula |
C24H26FN5
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| Molecular Weight |
403.505
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| Canonical SMILES |
Cc1nccn1CCCNCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C24H26FN5/c1-18-4-10-23(11-5-18)30-17-21(24(28-30)20-6-8-22(25)9-7-20)16-26-12-3-14-29-15-13-27-19(29)2/h4-11,13,15,17,26H,3,12,14,16H2,1-2H3
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| InChIKey |
SZSCDZKFQNVGHY-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor