General Information of the Compound
| Compound ID |
CP0865066
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| Compound Name |
1-((2R,4R,5S)-4-(4-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C34H41N9O4
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| Molecular Weight |
639.761
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| Canonical SMILES |
Cc1cn([C@H]2C[C@@H](n3cc(CN4CCN(c5cccc6[nH]c(-c7ccc(C(C)(C)C)cc7)nc56)CC4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C34H41N9O4/c1-21-17-42(33(46)37-32(21)45)29-16-27(28(20-44)47-29)43-19-24(38-39-43)18-40-12-14-41(15-13-40)26-7-5-6-25-30(26)36-31(35-25)22-8-10-23(11-9-22)34(2,3)4/h5-11,17,19,27-29,44H,12-16,18,20H2,1-4H3,(H,35,36)(H,37,45,46)/t27-,28-,29-/m1/s1
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| InChIKey |
VNVNBGCWPMKMMQ-MPFGFTFXSA-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