General Information of the Compound
| Compound ID |
CP0378472
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| Compound Name |
[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonopropyl]phosphonic acid
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| Synonyms |
MRS-2496
MRS2496
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| Structure |
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| Formula |
C10H16ClN5O6P2
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| Molecular Weight |
399.668
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| Canonical SMILES |
CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
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| InChI |
InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
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| InChIKey |
FFBIISIICFTESN-UHFFFAOYSA-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
Clinical Information about the Compound