General Information of the Compound
| Compound ID |
CP0081178
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| Compound Name |
[(2S)-6-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
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| Structure |
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| Formula |
C23H19ClN4O3
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| Molecular Weight |
434.883
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| Canonical SMILES |
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc(Cl)nc2[nH]ccc12
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| InChI |
InChI=1S/C23H19ClN4O3/c1-12-2-3-13-10-14(20-17-8-9-25-21(17)27-23(24)26-20)4-7-18(13)28(12)22(31)16-6-5-15(29)11-19(16)30/h4-12,29-30H,2-3H2,1H3,(H,25,26,27)/t12-/m0/s1
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| InChIKey |
QTZREWXFIMJBHN-LBPRGKRZSA-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