General Information of the Compound
| Compound ID |
CP0150767
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| Compound Name |
tert-butyl 4-[1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]triazol-4-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C20H30N8O4
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| Molecular Weight |
446.512
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1
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| InChI |
InChI=1S/C20H30N8O4/c1-20(2,3)32-19(31)26-9-7-25(8-10-26)16-13-27(24-23-16)14-17(29)22-12-18(30)28-6-4-5-15(28)11-21/h13,15H,4-10,12,14H2,1-3H3,(H,22,29)/t15-/m0/s1
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| InChIKey |
KFZZQZJGMJGLDZ-HNNXBMFYSA-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