General Information of the Compound
| Compound ID |
CP0836852
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| Compound Name |
2-Cyclopropoxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C20H22IN5O4
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| Molecular Weight |
523.331
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@@H](COC2CC2)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21
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| InChI |
InChI=1S/C20H22IN5O4/c21-12-3-1-2-11(6-12)7-22-18-15-19(24-9-23-18)26(10-25-15)20-17(28)16(27)14(30-20)8-29-13-4-5-13/h1-3,6,9-10,13-14,16-17,20,27-28H,4-5,7-8H2,(H,22,23,24)/t14-,16-,17-,20-/m1/s1
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| InChIKey |
GNXPBPLUJIPYGL-WVSUBDOOSA-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