General Information of the Compound
| Compound ID |
CP0230993
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| Compound Name |
1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]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 |
CCc1cc(NC(=O)N[C@H](C)C[C@@H](O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H36FN7O2/c1-4-19-14-22(26-31-32-33-34(26)3)16-24(15-19)30-27(37)29-18(2)12-25(36)35-11-5-6-21(17-35)13-20-7-9-23(28)10-8-20/h7-10,14-16,18,21,25,36H,4-6,11-13,17H2,1-3H3,(H2,29,30,37)/t18-,21+,25-/m1/s1
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| InChIKey |
HRZQKGGVQGIRFQ-DHTSOJEISA-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