General Information of the Compound
| Compound ID |
CP0558587
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| Compound Name |
N-[2-(4-tert-butylphenyl)pyridin-4-yl]-7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-amine
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| Formula |
C31H34N6
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| Molecular Weight |
490.655
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccc(cc3)C(C)(C)C)ccnc2c1
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| InChI |
InChI=1S/C31H34N6/c1-31(2,3)25-9-6-22(7-10-25)29-19-26(12-14-32-29)35-28-13-15-33-30-18-23(8-11-27(28)30)24-20-34-37(21-24)17-16-36(4)5/h6-15,18-21H,16-17H2,1-5H3,(H,32,33,35)
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| InChIKey |
XVQGYXZCNKGDEN-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