General Information of the Compound
| Compound ID |
CP0453086
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| Compound Name |
1,4-Dimethyl-2-phenyl-1,4,6,7-tetrahydro-1,3,4,5a,8-pentaaza-as-indacen-5-one
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| Structure |
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| Formula |
C15H15N5O
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| Molecular Weight |
281.319
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| Canonical SMILES |
CN1c2nc(-c3ccccc3)n(C)c2C2=NCCN2C1=O
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| InChI |
InChI=1S/C15H15N5O/c1-18-11-13-16-8-9-20(13)15(21)19(2)14(11)17-12(18)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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| InChIKey |
SCMCZOOFPVEYPJ-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