General Information of the Compound
| Compound ID |
CP0773402
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| Compound Name |
2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-cyclopropoxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C18H24ClN5O4
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| Molecular Weight |
409.874
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@@H](COC2CC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21
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| InChI |
InChI=1S/C18H24ClN5O4/c19-18-22-15(21-9-3-1-2-4-9)12-16(23-18)24(8-20-12)17-14(26)13(25)11(28-17)7-27-10-5-6-10/h8-11,13-14,17,25-26H,1-7H2,(H,21,22,23)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
XJHWWEZNNZWQSZ-LSCFUAHRSA-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