General Information of the Compound
| Compound ID |
CP0496243
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| Compound Name |
(2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-methylamino-benzyl)-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 |
C35H48FN5O2
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| Molecular Weight |
589.8
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| Canonical SMILES |
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc(NC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C35H48FN5O2/c1-5-24(3)34(35(42)43)40-22-28(32(23-40)27-10-8-11-29(36)19-27)21-39-15-13-26(14-16-39)33-20-31(38-41(33)6-2)18-25-9-7-12-30(17-25)37-4/h7-12,17,19-20,24,26,28,32,34,37H,5-6,13-16,18,21-23H2,1-4H3,(H,42,43)/t24-,28-,32+,34+/m0/s1
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| InChIKey |
DOPPOXSLOURTSB-FZKFUBHISA-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