General Information of the Compound
| Compound ID |
CP0541960
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| Compound Name |
US8716285, 5
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| Structure |
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| Formula |
C16H17N3O2
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| Molecular Weight |
283.331
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| Canonical SMILES |
ONC(=O)c1ccc2CCC(Cc2c1)Nc1ccccn1
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| InChI |
InChI=1S/C16H17N3O2/c20-16(19-21)12-5-4-11-6-7-14(10-13(11)9-12)18-15-3-1-2-8-17-15/h1-5,8-9,14,21H,6-7,10H2,(H,17,18)(H,19,20)
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| InChIKey |
AEYZGBBUAPCNAU-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