General Information of the Compound
| Compound ID |
CP0301274
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| Compound Name |
MLS000702892
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| Structure |
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| Formula |
C19H21N3O
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| Molecular Weight |
307.397
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| Canonical SMILES |
C(CN1CCOCC1)Nc1ccnc2cc3ccccc3cc12
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| InChI |
InChI=1S/C19H21N3O/c1-2-4-16-14-19-17(13-15(16)3-1)18(5-6-20-19)21-7-8-22-9-11-23-12-10-22/h1-6,13-14H,7-12H2,(H,20,21)
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| InChIKey |
PLCWPZZXOZWYJR-UHFFFAOYSA-N
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| CAS |
127136-32-7
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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