General Information of the Compound
| Compound ID |
CP0419453
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| Compound Name |
US9150519, 1-12
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| Structure |
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| Formula |
C16H19N5O
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| Molecular Weight |
297.362
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| Canonical SMILES |
O=C(Nc1ccncc1)c1cc(NC2CCCCC2)ncn1
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| InChI |
InChI=1S/C16H19N5O/c22-16(21-13-6-8-17-9-7-13)14-10-15(19-11-18-14)20-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,17,21,22)(H,18,19,20)
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| InChIKey |
ORDMRAVRIJZRRC-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