General Information of the Compound
| Compound ID |
CP0961090
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| Compound Name |
6-(3-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenethyl)-N-methylquinolin-2-amine
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| Formula |
C24H21ClN6
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| Molecular Weight |
428.927
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| Canonical SMILES |
CNc1ccc2cc(CCc3cccc(-n4cc(Cl)c5c(N)ncnc54)c3)ccc2n1
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| InChI |
InChI=1S/C24H21ClN6/c1-27-21-10-8-17-11-16(7-9-20(17)30-21)6-5-15-3-2-4-18(12-15)31-13-19(25)22-23(26)28-14-29-24(22)31/h2-4,7-14H,5-6H2,1H3,(H,27,30)(H2,26,28,29)
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| InChIKey |
HFKHDHVAIOAIEN-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