General Information of the Compound
| Compound ID |
CP0111386
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| Compound Name |
5-naphthalen-1-ylsulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine
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| Structure |
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| Formula |
C20H15N5S
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| Molecular Weight |
357.442
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| Canonical SMILES |
Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21
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| InChI |
InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)
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| InChIKey |
IUCBNZCMMDEDRD-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