General Information of the Compound
| Compound ID |
CP0569970
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| Compound Name |
(7S)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-15-methyl-5-(2-methylpyrazol-3-yl)-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 |
C28H30F3N7O
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| Molecular Weight |
537.59
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CCN4c3cc12)c1ccnn1C)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C28H30F3N7O/c1-16(19-5-4-6-20(26(19)29)27(30)31)33-28-21-13-23-24(14-22(21)34-17(2)35-28)39-12-8-18-15-37(10-11-38(18)23)25-7-9-32-36(25)3/h4-7,9,13-14,16,18,27H,8,10-12,15H2,1-3H3,(H,33,34,35)/t16-,18+/m1/s1
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| InChIKey |
QJJIBGHIKCZGQE-AEFFLSMTSA-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