General Information of the Compound
| Compound ID |
CP0824721
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| Compound Name |
SID17401205
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| Structure |
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| Formula |
C18H13N3O2
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| Molecular Weight |
303.321
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| Canonical SMILES |
Nc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1
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| InChI |
InChI=1S/C18H13N3O2/c19-17-16-14(20-21(17)13-9-5-2-6-10-13)11-15(23-18(16)22)12-7-3-1-4-8-12/h1-11H,19H2
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| InChIKey |
WFCWTIXSLGAZTA-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: PT06033, Microphthalmia-associated transcription factor