General Information of the Compound
| Compound ID |
CP0454108
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| Compound Name |
1-((2R,3S)-4-(ethyl((2S,3R)-4-(4-fluorophenyl)-3-hydroxybutan-2-yl)amino)-3-hydroxybutan-2-yl)-3-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C27H38FN7O3
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| Molecular Weight |
527.645
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| Canonical SMILES |
CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C)[C@@H](C)[C@H](O)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C27H38FN7O3/c1-6-19-12-21(26-31-32-33-34(26)5)15-23(13-19)30-27(38)29-17(3)25(37)16-35(7-2)18(4)24(36)14-20-8-10-22(28)11-9-20/h8-13,15,17-18,24-25,36-37H,6-7,14,16H2,1-5H3,(H2,29,30,38)/t17-,18+,24-,25+/m1/s1
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| InChIKey |
JYQOPMMBCFIFTN-JIROWCAOSA-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