General Information of the Compound
| Compound ID |
CP0814964
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| Compound Name |
SID24790560
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| Structure |
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| Formula |
C16H17ClN4O2
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| Molecular Weight |
332.791
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| Canonical SMILES |
COc1cc(/C=N/N=C(N)N)ccc1OCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H17ClN4O2/c1-22-15-8-12(9-20-21-16(18)19)4-7-14(15)23-10-11-2-5-13(17)6-3-11/h2-9H,10H2,1H3,(H4,18,19,21)/b20-9+
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| InChIKey |
KYQYSANJUCXXCA-AWQFTUOYSA-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