General Information of the Compound
| Compound ID |
CP0544929
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| Compound Name |
tert-butyl N-[(2S)-1-[4-(6-carbamoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)anilino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C22H26N6O4
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| Molecular Weight |
438.488
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| Canonical SMILES |
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(N)=O
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| InChI |
InChI=1S/C22H26N6O4/c1-12(26-21(31)32-22(2,3)4)20(30)27-14-8-6-13(7-9-14)17-15-10-16(18(23)29)28(5)19(15)25-11-24-17/h6-12H,1-5H3,(H2,23,29)(H,26,31)(H,27,30)/t12-/m0/s1
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| InChIKey |
BBJXBDKRIWATBY-LBPRGKRZSA-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