General Information of the Compound
| Compound ID |
CP0301214
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| Compound Name |
US9505765, 180
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| Structure |
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| Formula |
C17H22N4O2
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| Molecular Weight |
314.389
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| Canonical SMILES |
CC(C)COc1ncnc2[nH]cc(\C=C\C(=O)NCC3CC3)c12
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| InChI |
InChI=1S/C17H22N4O2/c1-11(2)9-23-17-15-13(8-19-16(15)20-10-21-17)5-6-14(22)18-7-12-3-4-12/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,18,22)(H,19,20,21)/b6-5+
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| InChIKey |
NTJCHTSHOGWLTQ-AATRIKPKSA-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