General Information of the Compound
| Compound ID |
CP0665122
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| Compound Name |
SID16953491
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| Structure |
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| Formula |
C19H13BrN4O2
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| Molecular Weight |
409.243
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| Canonical SMILES |
O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccccc1-n1cccc1
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| InChI |
InChI=1S/C19H13BrN4O2/c20-12-7-8-15-14(11-12)17(19(26)21-15)22-23-18(25)13-5-1-2-6-16(13)24-9-3-4-10-24/h1-11,21,26H
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| InChIKey |
UXNLIKVLGGBMQI-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