General Information of the Compound
| Compound ID |
CP0512153
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| Compound Name |
4,4-dimethyl-2-pyridin-4-yl-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]naphthalene
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| Structure |
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| Formula |
C17H17N3O
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| Molecular Weight |
279.343
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| Canonical SMILES |
CC1(C)Oc2ccccc2C2CC(=NN12)c1ccncc1
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| InChI |
InChI=1S/C17H17N3O/c1-17(2)20-15(13-5-3-4-6-16(13)21-17)11-14(19-20)12-7-9-18-10-8-12/h3-10,15H,11H2,1-2H3
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| InChIKey |
OCVGQWQRISWRCT-UHFFFAOYSA-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