General Information of the Compound
| Compound ID |
CP0495721
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| Compound Name |
3-[4-(dimethylamino)piperidin-1-yl]-4-fluoro-2-methoxy-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
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| Formula |
C27H30FN5O2
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| Molecular Weight |
475.568
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| Canonical SMILES |
COc1cc2c(c(F)c1N1CCC(CC1)N(C)C)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C27H30FN5O2/c1-15(2)33-24-19(26(34)22-18-7-6-16(14-29)12-20(18)30-27(22)33)13-21(35-5)25(23(24)28)32-10-8-17(9-11-32)31(3)4/h6-7,12-13,15,17,30H,8-11H2,1-5H3
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| InChIKey |
WOOKGTZSOKNCKI-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