General Information of the Compound
| Compound ID |
CP0815301
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| Compound Name |
SID99245557
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| Structure |
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| Formula |
C21H18ClF3N4O
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| Molecular Weight |
434.849
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| Canonical SMILES |
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
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| InChI |
InChI=1S/C21H18ClF3N4O/c22-15-3-6-17-18(13-15)26-8-7-19(17)28-9-11-29(12-10-28)20(30)27-16-4-1-14(2-5-16)21(23,24)25/h1-8,13H,9-12H2,(H,27,30)
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| InChIKey |
CRHOSTMLBFPCJJ-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: PT06172, Mothers against decapentaplegic homolog 3