General Information of the Compound
| Compound ID |
CP0471028
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| Compound Name |
N-[(2S,3R)-4-[[1-[3-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C27H33F2N3O2
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| Molecular Weight |
469.576
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CCC1C2
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| InChI |
InChI=1S/C27H33F2N3O2/c1-17(33)31-25(12-19-9-21(28)14-22(29)10-19)26(34)15-30-27(7-8-27)20-3-2-4-23(13-20)32-16-18-5-6-24(32)11-18/h2-4,9-10,13-14,18,24-26,30,34H,5-8,11-12,15-16H2,1H3,(H,31,33)/t18?,24?,25-,26+/m0/s1
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| InChIKey |
HBESBLSFMMMSSP-XUGQPUMOSA-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