General Information of the Compound
| Compound ID |
CP0862329
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| Compound Name |
N-((2R,3S,4S,5R,6S)-2-(4-((4-(2-(4-tertbutylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide
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| Structure |
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| Formula |
C32H42N8O5
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| Molecular Weight |
618.739
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| Canonical SMILES |
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1n1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)nn1
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| InChI |
InChI=1S/C32H42N8O5/c1-19(42)33-27-29(44)28(43)25(18-41)45-31(27)40-17-22(36-37-40)16-38-12-14-39(15-13-38)24-7-5-6-23-26(24)35-30(34-23)20-8-10-21(11-9-20)32(2,3)4/h5-11,17,25,27-29,31,41,43-44H,12-16,18H2,1-4H3,(H,33,42)(H,34,35)/t25-,27-,28-,29-,31+/m0/s1
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| InChIKey |
KGBAMSWVZCOZAM-YVAGMXFSSA-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