General Information of the Compound
| Compound ID |
CP0456227
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| Compound Name |
2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-2-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide
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| Structure |
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| Formula |
C27H28F2N4O3
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| Molecular Weight |
494.542
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccn(C)c1=O)c1ccccc1
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| InChI |
InChI=1S/C27H28F2N4O3/c1-17(2)23(31-26(35)27(3,28)29)24(18-9-6-5-7-10-18)36-20-12-13-21-19(15-20)16-30-33(21)22-11-8-14-32(4)25(22)34/h5-17,23-24H,1-4H3,(H,31,35)/t23-,24+/m0/s1
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| InChIKey |
CXMOXFLPZPCNJD-BJKOFHAPSA-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