General Information of the Compound
| Compound ID |
CP0419945
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| Compound Name |
US9169224, 142
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| Structure |
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| Formula |
C20H21N5O
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| Molecular Weight |
347.422
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| Canonical SMILES |
O=C(Nc1cccnc1)N1CCN(Cc2cnc3ccccc3c2)CC1
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| InChI |
InChI=1S/C20H21N5O/c26-20(23-18-5-3-7-21-14-18)25-10-8-24(9-11-25)15-16-12-17-4-1-2-6-19(17)22-13-16/h1-7,12-14H,8-11,15H2,(H,23,26)
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| InChIKey |
SGKUYZSJCFOEEL-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