General Information of the Compound
| Compound ID |
CP0475465
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| Compound Name |
tert-butyl (2S)-2-[[4-(6-carbamoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C24H28N6O4
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| Molecular Weight |
464.526
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(N)=O
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| InChI |
InChI=1S/C24H28N6O4/c1-24(2,3)34-23(33)30-11-5-6-17(30)22(32)28-15-9-7-14(8-10-15)19-16-12-18(20(25)31)29(4)21(16)27-13-26-19/h7-10,12-13,17H,5-6,11H2,1-4H3,(H2,25,31)(H,28,32)/t17-/m0/s1
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| InChIKey |
NSUMCARKFXNFEN-KRWDZBQOSA-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