General Information of the Compound
| Compound ID |
CP0848425
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| Compound Name |
N-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C14H16ClN5
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| Molecular Weight |
289.77
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| Canonical SMILES |
CN(C)CCNc1ncnc2c1[nH]c1ccc(Cl)cc12
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| InChI |
InChI=1S/C14H16ClN5/c1-20(2)6-5-16-14-13-12(17-8-18-14)10-7-9(15)3-4-11(10)19-13/h3-4,7-8,19H,5-6H2,1-2H3,(H,16,17,18)
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| InChIKey |
ILFOTNWKKUDDIJ-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
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01711, Histamine H4 receptor