General Information of the Compound
| Compound ID |
CP0544362
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| Compound Name |
US9278960, 4-99
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CCC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1
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| InChI |
InChI=1S/C21H25N5O2/c1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14/h4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)
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| InChIKey |
JTVUZIYJNUEZBC-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