General Information of the Compound
| Compound ID |
CP0514468
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| Compound Name |
N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-4-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]-2-[4-(methylsulfamoyl)phenyl]-N-prop-2-enylacetamide
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| Structure |
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| Formula |
C34H45FN4O5S
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| Molecular Weight |
640.822
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccc(F)cc3)C(=O)C3CCCC3)CC2)cc1
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| InChI |
InChI=1S/C34H45FN4O5S/c1-3-18-39(32(40)21-25-8-14-31(15-9-25)45(43,44)36-2)30-16-19-37(20-17-30)22-28-23-38(33(41)26-6-4-5-7-26)24-34(28,42)27-10-12-29(35)13-11-27/h3,8-15,26,28,30,36,42H,1,4-7,16-24H2,2H3/t28-,34-/m0/s1
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| InChIKey |
VWFZQEZALJUOAZ-GVYVVWIYSA-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