General Information of the Compound
| Compound ID |
CP0965163
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| Compound Name |
N1-(7-(2-(5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)ethyl)-2-ethylquinolin-4-yl)-N1,N2,N2-trimethylethane-1,2-diamine
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| Structure |
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| Formula |
C33H38N10
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| Molecular Weight |
574.737
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| Canonical SMILES |
CCc1cc(N(C)CCN(C)C)c2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C33H38N10/c1-6-24-17-30(41(4)14-13-40(2)3)26-10-9-22(16-29(26)38-24)7-8-23-15-25(19-35-18-23)43-20-27(28-11-12-42(5)39-28)31-32(34)36-21-37-33(31)43/h9-12,15-21H,6-8,13-14H2,1-5H3,(H2,34,36,37)
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| InChIKey |
UTODHCPNODZQJI-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