General Information of the Compound
| Compound ID |
CP0427983
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| Compound Name |
ethyl 3-[[benzyl-[2-oxo-2-[[(2S)-1-oxo-1-(3-phenylprop-2-ynylamino)propan-2-yl]amino]ethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C47H46F2N8O6
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| Molecular Weight |
856.931
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N[C@@H](C)C(=O)NCC#Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C47H46F2N8O6/c1-4-50-46(62)53-35-23-21-34(22-24-35)42-40(57-44(60)37(45(61)63-5-2)28-56(47(57)54-42)27-36-38(48)19-12-20-39(36)49)29-55(26-33-16-10-7-11-17-33)30-41(58)52-31(3)43(59)51-25-13-18-32-14-8-6-9-15-32/h6-12,14-17,19-24,28,31H,4-5,25-27,29-30H2,1-3H3,(H,51,59)(H,52,58)(H2,50,53,62)/t31-/m0/s1
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| InChIKey |
GKRNHZOOABIXOG-HKBQPEDESA-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