General Information of the Compound
| Compound ID |
CP0236252
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| Compound Name |
1,5-dimethyl-4-[(4-oxidanylidenenaphthalen-1-ylidene)amino]-2-phenyl-pyrazol-3-one
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| Formula |
C21H17N3O2
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| Molecular Weight |
343.386
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| Canonical SMILES |
Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
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| InChI |
InChI=1S/C21H17N3O2/c1-14-20(21(26)24(23(14)2)15-8-4-3-5-9-15)22-18-12-13-19(25)17-11-7-6-10-16(17)18/h3-13H,1-2H3/b22-18+
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| InChIKey |
BPCUUELBULRONU-RELWKKBWSA-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