General Information of the Compound
| Compound ID |
CP0575070
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| Compound Name |
(7S)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5,15-dimethyl-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 |
C25H28F3N5O
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| Molecular Weight |
471.527
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(C)CCN4c3cc12)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C25H28F3N5O/c1-14(17-5-4-6-18(23(17)26)24(27)28)29-25-19-11-21-22(12-20(19)30-15(2)31-25)34-10-7-16-13-32(3)8-9-33(16)21/h4-6,11-12,14,16,24H,7-10,13H2,1-3H3,(H,29,30,31)/t14-,16+/m1/s1
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| InChIKey |
PWUQGBVBMYWMBD-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