General Information of the Compound
| Compound ID |
CP0321344
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| Compound Name |
[(1R,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]butyl] N-methylcarbamate
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| Structure |
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| Formula |
C27H35FN8O3
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| Molecular Weight |
538.628
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| Canonical SMILES |
CNC(=O)O[C@H](C[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C)N1CCC[C@@H](Cc2ccc(F)cc2)C1
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| InChI |
InChI=1S/C27H35FN8O3/c1-18(30-26(37)31-23-8-4-7-21(16-23)25-32-33-34-35(25)3)14-24(39-27(38)29-2)36-13-5-6-20(17-36)15-19-9-11-22(28)12-10-19/h4,7-12,16,18,20,24H,5-6,13-15,17H2,1-3H3,(H,29,38)(H2,30,31,37)/t18-,20+,24-/m1/s1
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| InChIKey |
VFFNPYOBHDRIJA-LJFZDNNRSA-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