General Information of the Compound
| Compound ID |
CP0373375
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| Compound Name |
(2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Benzenesulfonyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid
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| Structure |
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| Formula |
C40H49FN4O4S
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| Molecular Weight |
700.921
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| Canonical SMILES |
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C40H49FN4O4S/c1-4-28(3)39(40(46)47)44-26-32(37(27-44)31-10-9-11-33(41)23-31)25-43-20-18-30(19-21-43)38-24-34(42-45(38)5-2)22-29-14-16-36(17-15-29)50(48,49)35-12-7-6-8-13-35/h6-17,23-24,28,30,32,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,32-,37+,39+/m0/s1
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| InChIKey |
MLKJWAJODRUMOO-CRJIABDTSA-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