General Information of the Compound
| Compound ID |
CP0085633
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| Compound Name |
1,3,5-trimethyl-8-phenylmethoxypyrimido[5,4-b]indole-2,4-dione
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| Structure |
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| Formula |
C20H19N3O3
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| Molecular Weight |
349.39
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| Canonical SMILES |
Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C20H19N3O3/c1-21-16-10-9-14(26-12-13-7-5-4-6-8-13)11-15(16)17-18(21)19(24)23(3)20(25)22(17)2/h4-11H,12H2,1-3H3
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| InChIKey |
LBLUMRUIHKRZMS-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