General Information of the Compound
| Compound ID |
CP0377123
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| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-[2-(4-tert-butylphenyl)ethynyl]-6-methylpurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C26H29N5O3/c1-14-19-23(30-18(29-14)11-8-15-6-9-16(10-7-15)25(2,3)4)31(13-28-19)20-17-12-26(17,24(34)27-5)22(33)21(20)32/h6-7,9-10,13,17,20-22,32-33H,12H2,1-5H3,(H,27,34)/t17-,20-,21+,22+,26+/m1/s1
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| InChIKey |
DZDKZOZHRLELAC-INNCACKWSA-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