General Information of the Compound
| Compound ID |
CP0882323
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| Compound Name |
SID49670026
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| Structure |
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| Formula |
C21H20ClF3N2O5
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| Molecular Weight |
472.847
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| Canonical SMILES |
Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNCc1ccc(Cl)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C19H18ClF3N2O.C2H2O4/c1-12-16(8-9-24-11-13-2-4-14(20)5-3-13)17-10-15(26-19(21,22)23)6-7-18(17)25-12;3-1(4)2(5)6/h2-7,10,24-25H,8-9,11H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
ANCYIVSIUMFVAI-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