General Information of the Compound
| Compound ID |
CP0566762
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| Compound Name |
US10022354, Example 36
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| Structure |
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| Formula |
C16H21N5O
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| Molecular Weight |
299.378
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)Nc1ccccn1
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| InChI |
InChI=1S/C16H21N5O/c1-11(2)13-9-14(20-19-13)16(22)21-8-6-12(10-21)18-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,17,18)(H,19,20)
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| InChIKey |
BNBACRJYRCHOJC-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