General Information of the Compound
| Compound ID |
CP0049115
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| Compound Name |
4-((5-(2,3-dihydro-1H-inden-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl)methyl)-6,8-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C25H28N4O2
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| Molecular Weight |
416.525
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| Canonical SMILES |
CCCn1c(CN2C(=O)COc3c(C)cc(C)cc23)nnc1C1Cc2ccccc2C1
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| InChI |
InChI=1S/C25H28N4O2/c1-4-9-28-22(26-27-25(28)20-12-18-7-5-6-8-19(18)13-20)14-29-21-11-16(2)10-17(3)24(21)31-15-23(29)30/h5-8,10-11,20H,4,9,12-15H2,1-3H3
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| InChIKey |
AISQZZOMEDBDQL-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