General Information of the Compound
| Compound ID |
CP0554105
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| Compound Name |
(7S)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-15-methyl-5-(2,2,2-trifluoroethyl)-10-oxa-2,5,14,16-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(11),12,14,16,18-pentaen-17-amine
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| Structure |
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| Formula |
C26H27F6N5O
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| Molecular Weight |
539.524
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CC(F)(F)F)CCN4c3cc12)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C26H27F6N5O/c1-14(17-4-3-5-18(23(17)27)24(28)29)33-25-19-10-21-22(11-20(19)34-15(2)35-25)38-9-6-16-12-36(7-8-37(16)21)13-26(30,31)32/h3-5,10-11,14,16,24H,6-9,12-13H2,1-2H3,(H,33,34,35)/t14-,16+/m1/s1
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| InChIKey |
LLWSSGBFYYSLTH-ZBFHGGJFSA-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