General Information of the Compound
| Compound ID |
CP0774622
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| Compound Name |
(R)-3-(1-(4-(6-(Pyridin-4-yl)quinazolin-2-ylamino)phenyl)-ethylamino)cyclohex-2-enone
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| Structure |
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| Formula |
C27H25N5O
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| Molecular Weight |
435.531
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| Canonical SMILES |
C[C@@H](NC1=CC(=O)CCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
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| InChI |
InChI=1S/C27H25N5O/c1-18(30-24-3-2-4-25(33)16-24)19-5-8-23(9-6-19)31-27-29-17-22-15-21(7-10-26(22)32-27)20-11-13-28-14-12-20/h5-18,30H,2-4H2,1H3,(H,29,31,32)/t18-/m1/s1
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| InChIKey |
GNOMSTRWPWTGQT-GOSISDBHSA-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