General Information of the Compound
| Compound ID |
CP0540269
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| Compound Name |
6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C27H30FN5O4S
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| Molecular Weight |
539.633
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
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| InChI |
InChI=1S/C27H30FN5O4S/c1-3-11-33-24-17-23(29-25(24)26(34)30(2)27(33)35)20-7-9-22(10-8-20)38(36,37)32-14-12-31(13-15-32)18-19-5-4-6-21(28)16-19/h4-10,16-17,29H,3,11-15,18H2,1-2H3
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| InChIKey |
PKTSCODOUVKCEZ-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