General Information of the Compound
| Compound ID |
CP0087843
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| Compound Name |
tert-butyl 4-[[1-[(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]triazol-4-yl]methyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C31H45N7O4
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| Molecular Weight |
579.746
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1
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| InChI |
InChI=1S/C31H45N7O4/c1-31(2,3)42-30(41)36-18-16-34(17-19-36)21-25-22-38(33-32-25)26-20-27(29(40)35-14-7-8-15-35)37(23-26)28(39)13-9-12-24-10-5-4-6-11-24/h4-6,10-11,22,26-27H,7-9,12-21,23H2,1-3H3/t26-,27-/m0/s1
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| InChIKey |
LPMUXXBRNGPFML-SVBPBHIXSA-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