General Information of the Compound
| Compound ID |
CP0684232
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| Compound Name |
US9260440, 68
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| Structure |
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| Formula |
C16H16N4O
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| Molecular Weight |
280.331
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| Canonical SMILES |
C[C@]12CCCN1CC1=NNC(=O)c3cccc4[nH]c2c1c34
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| InChI |
InChI=1S/C16H16N4O/c1-16-6-3-7-20(16)8-11-13-12-9(15(21)19-18-11)4-2-5-10(12)17-14(13)16/h2,4-5,17H,3,6-8H2,1H3,(H,19,21)/t16-/m1/s1
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| InChIKey |
YDYWCKXGGCVENO-MRXNPFEDSA-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