General Information of the Compound
| Compound ID |
CP0576895
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| Compound Name |
US9278960, 4-58
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| Structure |
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| Formula |
C21H25N5O3
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| Molecular Weight |
395.463
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| Canonical SMILES |
COCC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1
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| InChI |
InChI=1S/C21H25N5O3/c1-25-11-15(9-23-25)18-8-20(21(22)27)24-19-7-14(3-4-17(18)19)10-26-5-6-29-16(12-26)13-28-2/h3-4,7-9,11,16H,5-6,10,12-13H2,1-2H3,(H2,22,27)
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| InChIKey |
PXFHZCVFXFNCGQ-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