General Information of the Compound
| Compound ID |
CP0494968
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| Compound Name |
[(7S)-17-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-15-methyl-10-oxa-2,5,14,16-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(11),12,14,16,18-pentaen-5-yl]-(oxetan-3-yl)methanone
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| Structure |
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| Formula |
C28H30F3N5O3
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| Molecular Weight |
541.574
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CCN4c3cc12)C(=O)C1COC1)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C28H30F3N5O3/c1-15(19-4-3-5-20(25(19)29)26(30)31)32-27-21-10-23-24(11-22(21)33-16(2)34-27)39-9-6-18-12-35(7-8-36(18)23)28(37)17-13-38-14-17/h3-5,10-11,15,17-18,26H,6-9,12-14H2,1-2H3,(H,32,33,34)/t15-,18+/m1/s1
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| InChIKey |
NMWPVQJXWQMKDA-QAPCUYQASA-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