General Information of the Compound
| Compound ID |
CP0415122
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| Compound Name |
(2R,4S)-2-[(2S,3S)-3-[4-(5-Benzo[1,3]dioxol-5-ylmethyl-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 |
C35H45FN4O4
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| Molecular Weight |
604.767
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| Canonical SMILES |
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc4OCOc4c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C35H45FN4O4/c1-4-23(3)34(35(41)42)39-20-27(30(21-39)26-7-6-8-28(36)17-26)19-38-13-11-25(12-14-38)31-18-29(37-40(31)5-2)15-24-9-10-32-33(16-24)44-22-43-32/h6-10,16-18,23,25,27,30,34H,4-5,11-15,19-22H2,1-3H3,(H,41,42)/t23-,27-,30+,34+/m0/s1
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| InChIKey |
YHXSYDDMGBQKTA-NZUHDKDNSA-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