General Information of the Compound
| Compound ID |
CP0123078
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| Compound Name |
(3S)-3-[(6-chloroquinazolin-4-yl)amino]-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C25H36ClN5O
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| Molecular Weight |
458.05
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| Canonical SMILES |
CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O)N(C)C(C)C
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| InChI |
InChI=1S/C25H36ClN5O/c1-5-6-17-13-19(30(4)16(2)3)8-10-23(17)31-12-11-22(25(31)32)29-24-20-14-18(26)7-9-21(20)27-15-28-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,27,28,29)/t17-,19-,22+,23+/m1/s1
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| InChIKey |
DEXJQUDODNDJEZ-GNRVTEMESA-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