General Information of the Compound
| Compound ID |
CP0574917
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| Compound Name |
2-[(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]acetonitrile
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| Structure |
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| Formula |
C26H27F3N6O
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| Molecular Weight |
496.537
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| Canonical SMILES |
C[C@@H](Nc1nc(C)nc2cc3OCC[C@H]4CN(CC#N)CCN4c3cc12)c1cccc(C(F)F)c1F
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| InChI |
InChI=1S/C26H27F3N6O/c1-15(18-4-3-5-19(24(18)27)25(28)29)31-26-20-12-22-23(13-21(20)32-16(2)33-26)36-11-6-17-14-34(8-7-30)9-10-35(17)22/h3-5,12-13,15,17,25H,6,8-11,14H2,1-2H3,(H,31,32,33)/t15-,17+/m1/s1
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| InChIKey |
BRQSDCYBDQWGIF-WBVHZDCISA-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