General Information of the Compound
| Compound ID |
CP0451130
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| Compound Name |
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-yloxyphenyl)pyridin-4-yl]quinolin-4-amine
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| Formula |
C30H32N6O
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| Molecular Weight |
492.627
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)-c1cc(Nc2ccnc3cc(ccc23)-c2cnn(CCN(C)C)c2)ccn1
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| InChI |
InChI=1S/C30H32N6O/c1-21(2)37-26-8-5-22(6-9-26)29-18-25(11-13-31-29)34-28-12-14-32-30-17-23(7-10-27(28)30)24-19-33-36(20-24)16-15-35(3)4/h5-14,17-21H,15-16H2,1-4H3,(H,31,32,34)
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| InChIKey |
BWKLCJFFSSCMEY-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