General Information of the Compound
| Compound ID |
CP0446874
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| Compound Name |
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C29H34F2N6O2
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| Molecular Weight |
536.627
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1
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| InChI |
InChI=1S/C29H34F2N6O2/c1-18-16-36(17-19(2)33-18)29(38)20-10-24(26-4-3-5-37(26)23-13-21(30)12-22(31)14-23)28-25(11-20)32-15-27(34-28)35-6-8-39-9-7-35/h10-15,18-19,26,33H,3-9,16-17H2,1-2H3/t18-,19+,26?
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| InChIKey |
ICFUXSFIXHYYTR-ULZZTYQWSA-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