General Information of the Compound
| Compound ID |
CP0684553
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| Compound Name |
2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-cyclopropoxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C20H21ClIN5O4
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| Molecular Weight |
557.776
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@@H](COC2CC2)O[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21
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| InChI |
InChI=1S/C20H21ClIN5O4/c21-20-25-17(23-7-10-2-1-3-11(22)6-10)14-18(26-20)27(9-24-14)19-16(29)15(28)13(31-19)8-30-12-4-5-12/h1-3,6,9,12-13,15-16,19,28-29H,4-5,7-8H2,(H,23,25,26)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
CPZMUYPOIXKZIA-NVQRDWNXSA-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