General Information of the Compound
| Compound ID |
CP0561885
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| Compound Name |
benzyl 7-methyl-4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C31H33N5O5
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| Molecular Weight |
555.635
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C31H33N5O5/c1-31(2,3)41-30(39)36-16-8-11-24(36)28(37)34-22-14-12-21(13-15-22)26-23-17-25(35(4)27(23)33-19-32-26)29(38)40-18-20-9-6-5-7-10-20/h5-7,9-10,12-15,17,19,24H,8,11,16,18H2,1-4H3,(H,34,37)/t24-/m0/s1
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| InChIKey |
VJMKOJIIWRQGGS-DEOSSOPVSA-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