General Information of the Compound
| Compound ID |
CP0376361
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| Compound Name |
1-(4-fluorophenyl)-3-phenyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-6H-pyrrolo[3,4-c]pyrazol-4-one
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| Structure |
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| Formula |
C28H28FN7O
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| Molecular Weight |
497.578
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)N1Cc2c(C1=O)c(nn2-c1ccc(F)cc1)-c1ccccc1
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| InChI |
InChI=1S/C28H28FN7O/c1-20(18-33-14-16-34(17-15-33)28-30-12-5-13-31-28)35-19-24-25(27(35)37)26(21-6-3-2-4-7-21)32-36(24)23-10-8-22(29)9-11-23/h2-13,20H,14-19H2,1H3
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| InChIKey |
FAOGRUYOQUPYRC-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