General Information of the Compound
Compound ID |
CP0453147
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Compound Name |
(6-Chloro-9H-beta-carbolin-8-yl)-dimethyl-amine
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Formula |
C13H12ClN3
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Molecular Weight |
245.713
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Canonical SMILES |
CN(C)c1cc(Cl)cc2c3cc[nH]cc3nc12
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InChI |
InChI=1S/C13H12ClN3/c1-17(2)12-6-8(14)5-10-9-3-4-15-7-11(9)16-13(10)12/h3-7,15H,1-2H3
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InChIKey |
UXOPJRYPRANAER-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