General Information of the Compound
| Compound ID |
CP0091220
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| Compound Name |
2-[3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propylcarbamoylamino]-5-(1-methyltetrazol-5-yl)phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C28H36FN7O3
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| Molecular Weight |
537.64
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| Canonical SMILES |
Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)(C)C(O)=O
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| InChI |
InChI=1S/C28H36FN7O3/c1-28(2,26(37)38)22-15-21(25-32-33-34-35(25)3)16-24(17-22)31-27(39)30-11-5-13-36-12-4-6-20(18-36)14-19-7-9-23(29)10-8-19/h7-10,15-17,20H,4-6,11-14,18H2,1-3H3,(H,37,38)(H2,30,31,39)/t20-/m0/s1
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| InChIKey |
OMYKGVIQNBTKOU-FQEVSTJZSA-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