General Information of the Compound
| Compound ID |
CP0551442
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| Compound Name |
9-(pyrrolidin-3-ylamino)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
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| Structure |
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| Formula |
C14H17N5O2
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| Molecular Weight |
287.323
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| Canonical SMILES |
O=C1CN2C(COc3ccc(NC4CCNC4)cc23)=NN1
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| InChI |
InChI=1S/C14H17N5O2/c20-14-7-19-11-5-9(16-10-3-4-15-6-10)1-2-12(11)21-8-13(19)17-18-14/h1-2,5,10,15-16H,3-4,6-8H2,(H,18,20)
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| InChIKey |
ZJEHCDPDWFIWKX-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