General Information of the Compound
| Compound ID |
CP0379337
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| Compound Name |
MLS001006742
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| Structure |
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| Formula |
C22H18N4O2
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| Molecular Weight |
370.412
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| Canonical SMILES |
O=C(NN=Cc1ccc[nH]1)c1ccc(COc2cccc3cccnc23)cc1
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| InChI |
InChI=1S/C22H18N4O2/c27-22(26-25-14-19-6-3-12-23-19)18-10-8-16(9-11-18)15-28-20-7-1-4-17-5-2-13-24-21(17)20/h1-14,23H,15H2,(H,26,27)/b25-14+
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| InChIKey |
UIPIRPSFXHQIOT-AFUMVMLFSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1
Protein ID: PT06172, Mothers against decapentaplegic homolog 3