General Information of the Compound
| Compound ID |
CP0476572
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| Compound Name |
N-[5-chloro-4-(3-methoxyanilino)-9H-pyrimido[4,5-b]indol-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
COc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)c1
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| InChI |
InChI=1S/C22H22ClN5O2/c1-22(2,3)20(29)28-21-26-18(24-12-7-5-8-13(11-12)30-4)17-16-14(23)9-6-10-15(16)25-19(17)27-21/h5-11H,1-4H3,(H3,24,25,26,27,28,29)
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| InChIKey |
ZEDKJXMVVWZHSC-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