General Information of the Compound
| Compound ID |
CP0371378
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| Compound Name |
Bromo-acetic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-octahydro-purin-3-yl)-propyl ester
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| Structure |
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| Formula |
C18H29BrN4O4
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| Molecular Weight |
445.358
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| Canonical SMILES |
CCCN1C(=O)C2NC(NC2N(CCCOC(=O)CBr)C1=O)C1CCCC1
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| InChI |
InChI=1S/C18H29BrN4O4/c1-2-8-23-17(25)14-16(21-15(20-14)12-6-3-4-7-12)22(18(23)26)9-5-10-27-13(24)11-19/h12,14-16,20-21H,2-11H2,1H3
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| InChIKey |
CVNUUCOUXOZJMS-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