General Information of the Compound
Compound ID |
CP0238377
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Compound Name |
5-(2,5-dimethoxyphenyl)sulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine
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Structure |
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Formula |
C18H17N5O2S
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Molecular Weight |
367.434
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Canonical SMILES |
COc1ccc(OC)c(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)c1
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InChI |
InChI=1S/C18H17N5O2S/c1-24-9-6-7-11(25-2)13(8-9)26-12-5-3-4-10-14(12)15-16(19)22-18(20)23-17(15)21-10/h3-8H,1-2H3,(H5,19,20,21,22,23)
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InChIKey |
TXHGXJGNQUMSBD-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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