General Information of the Compound
| Compound ID |
CP0371738
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| Compound Name |
N-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-[2-(1-propan-2-ylimidazol-4-yl)ethylamino]purin-9-yl]-2,3-dihydroxycyclopentyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C41H47N9O3
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| Molecular Weight |
713.887
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| Canonical SMILES |
CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)CCc5ccccc5)[C@@H](O)[C@H]4O)c3n2)c1
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| InChI |
InChI=1S/C41H47N9O3/c1-27(2)49-24-31(44-25-49)20-21-42-41-47-39(43-23-32(29-14-8-4-9-15-29)30-16-10-5-11-17-30)36-40(48-41)50(26-45-36)34-22-33(37(52)38(34)53)46-35(51)19-18-28-12-6-3-7-13-28/h3-17,24-27,32-34,37-38,52-53H,18-23H2,1-2H3,(H,46,51)(H2,42,43,47,48)/t33-,34+,37+,38-/m0/s1
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| InChIKey |
SFJJRUJFKBGBCP-MUPSXSOUSA-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