General Information of the Compound
| Compound ID |
CP0534035
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| Compound Name |
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-fluorophenyl)pyridin-4-yl]quinolin-4-amine
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| Formula |
C27H25FN6
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| Molecular Weight |
452.537
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccc(F)cc3)ccnc2c1
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| InChI |
InChI=1S/C27H25FN6/c1-33(2)13-14-34-18-21(17-31-34)20-5-8-24-25(10-12-30-27(24)15-20)32-23-9-11-29-26(16-23)19-3-6-22(28)7-4-19/h3-12,15-18H,13-14H2,1-2H3,(H,29,30,32)
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| InChIKey |
DLIYYGGQNXNZFH-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