General Information of the Compound
| Compound ID |
CP0443449
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| Compound Name |
benzyl 7-methyl-4-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C29H31N5O5
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| Molecular Weight |
529.597
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| Canonical SMILES |
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C29H31N5O5/c1-18(32-28(37)39-29(2,3)4)26(35)33-21-13-11-20(12-14-21)24-22-15-23(34(5)25(22)31-17-30-24)27(36)38-16-19-9-7-6-8-10-19/h6-15,17-18H,16H2,1-5H3,(H,32,37)(H,33,35)/t18-/m0/s1
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| InChIKey |
ASWHWIOVGCDORU-SFHVURJKSA-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