General Information of the Compound
| Compound ID |
CP0911905
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| Compound Name |
Phosphoric acid mono-[4-(6-amino-2-chloro-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hex-1-ylmethyl] ester
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| Structure |
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| Formula |
C12H15ClN5O6P
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| Molecular Weight |
391.708
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| Canonical SMILES |
Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@]2(COP(=O)(O)O)C[C@@H]12
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| InChI |
InChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6+,7-,8-,12+/m0/s1
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| InChIKey |
FTSUGKZNIRUKKK-HCLLPVKESA-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