General Information of the Compound
| Compound ID |
CP0170003
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| Compound Name |
5-(4-chlorophenyl)sulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine
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| Structure |
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| Formula |
C16H12ClN5S
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| Molecular Weight |
341.827
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| Canonical SMILES |
Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccc(Cl)cc3)c21
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| InChI |
InChI=1S/C16H12ClN5S/c17-8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13-14(18)21-16(19)22-15(13)20-10/h1-7H,(H5,18,19,20,21,22)
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| InChIKey |
JXOABOHWBCZGNI-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