General Information of the Compound
| Compound ID |
CP0311018
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| Compound Name |
1-[(1R,3S)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxy-4-methylpentan-3-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
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| Structure |
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| Formula |
C27H36FN7O2
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| Molecular Weight |
509.63
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| Canonical SMILES |
CC(C)[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H36FN7O2/c1-18(2)24(30-27(37)29-23-8-4-7-21(15-23)26-31-32-33-34(26)3)16-25(36)35-13-5-6-20(17-35)14-19-9-11-22(28)12-10-19/h4,7-12,15,18,20,24-25,36H,5-6,13-14,16-17H2,1-3H3,(H2,29,30,37)/t20-,24-,25+/m0/s1
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| InChIKey |
YXGHCLLTAXLPMG-KSNOWIBYSA-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