General Information of the Compound
| Compound ID |
CP0864511
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| Compound Name |
MMV1507428
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| Structure |
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| Formula |
C17H10ClF3N4O2S
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| Molecular Weight |
426.807
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| Canonical SMILES |
O=C(Nc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1Cl
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| InChI |
InChI=1S/C17H10ClF3N4O2S/c18-11-7-3-1-5-9(11)13(26)22-12-8-4-2-6-10(12)14(27)23-16-25-24-15(28-16)17(19,20)21/h1-8H,(H,22,26)(H,23,25,27)
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| InChIKey |
AHJBPPNJPAJRNX-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