General Information of the Compound
| Compound ID |
CP0345249
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| Compound Name |
3-acenaphthen-5-yl-N-[(4-chloro-3-nitro-benzylidene)amino]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C23H16ClN5O3
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| Molecular Weight |
445.866
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| Canonical SMILES |
[O-][N+](=O)c1cc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3CCc4cccc2c34)ccc1Cl
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| InChI |
InChI=1S/C23H16ClN5O3/c24-18-9-4-13(10-21(18)29(31)32)12-25-28-23(30)20-11-19(26-27-20)16-8-7-15-6-5-14-2-1-3-17(16)22(14)15/h1-4,7-12H,5-6H2,(H,26,27)(H,28,30)/b25-12+
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| InChIKey |
XAPSYESMMPZIRE-BRJLIKDPSA-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