General Information of the Compound
| Compound ID |
CP0506062
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| Compound Name |
(3R,4S)-N-ethyl-3-phenyl-4-[[5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-yl]methylamino]piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H28F3N7O2
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| Molecular Weight |
515.54
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| Canonical SMILES |
CCNC(=O)N1CC[C@H](NCc2cc(cc3CCOc23)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1
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| InChI |
InChI=1S/C25H28F3N7O2/c1-2-29-24(36)34-10-8-21(20(15-34)16-6-4-3-5-7-16)30-14-18-13-19(12-17-9-11-37-22(17)18)35-23(25(26,27)28)31-32-33-35/h3-7,12-13,20-21,30H,2,8-11,14-15H2,1H3,(H,29,36)/t20-,21-/m0/s1
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| InChIKey |
KFUPBBFSUUJFFY-SFTDATJTSA-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