General Information of the Compound
| Compound ID |
CP0159527
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| Compound Name |
MLS000663692
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| Structure |
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| Formula |
C21H17N3O
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| Molecular Weight |
327.387
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| Canonical SMILES |
CC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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| InChI |
InChI=1S/C21H17N3O/c1-14(25)22-15-10-12-16(13-11-15)23-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-13H,1H3,(H,22,25)(H,23,24)
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| InChIKey |
OSHKKYSYOUUOFF-UHFFFAOYSA-N
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| CAS |
64990-15-4
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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