General Information of the Compound
| Compound ID |
CP0521285
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| Compound Name |
US8772304, 30
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| Structure |
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| Formula |
C24H27N7O
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| Molecular Weight |
429.528
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C24H27N7O/c1-24(2,3)31-20-6-4-16(18-14-27-23(25)28-15-18)12-19(20)29-22(31)17-5-7-21(26-13-17)30-8-10-32-11-9-30/h4-7,12-15H,8-11H2,1-3H3,(H2,25,27,28)
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| InChIKey |
WPXZLALFJCMZLL-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