General Information of the Compound
| Compound ID |
CP0753507
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| Compound Name |
SID22401243
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| Structure |
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| Formula |
C24H17BrN4O
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| Molecular Weight |
457.331
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| Canonical SMILES |
O=C(N/N=C/c1c[nH]c2ccccc12)c1[nH]c2ccc(Br)cc2c1-c1ccccc1
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| InChI |
InChI=1S/C24H17BrN4O/c25-17-10-11-21-19(12-17)22(15-6-2-1-3-7-15)23(28-21)24(30)29-27-14-16-13-26-20-9-5-4-8-18(16)20/h1-14,26,28H,(H,29,30)/b27-14+
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| InChIKey |
PNONYGHUKJNYMH-MZJWZYIUSA-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: PT06124, Paired box protein Pax-8