General Information of the Compound
| Compound ID |
CP0163520
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| Compound Name |
tert-butyl N-[[1-[(3S,5S)-1-(4-phenylbutanoyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]triazol-4-yl]methyl]carbamate
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| Structure |
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| Formula |
C27H38N6O4
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| Molecular Weight |
510.639
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| Canonical SMILES |
CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23-/m0/s1
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| InChIKey |
XZWNABGHXTWXJY-GOTSBHOMSA-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