General Information of the Compound
| Compound ID |
CP0109337
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| Compound Name |
4,5-difluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)pyridin-2-yl]phenol
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| Structure |
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| Formula |
C27H22F2N4O2
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| Molecular Weight |
472.495
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| Canonical SMILES |
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)c(F)cc1O
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| InChI |
InChI=1S/C27H22F2N4O2/c1-15-19-9-17(7-8-24(19)33-32-15)20-10-18(31-25(14-34)16-5-3-2-4-6-16)13-30-27(20)21-11-22(28)23(29)12-26(21)35/h2-13,25,31,34-35H,14H2,1H3,(H,32,33)/t25-/m0/s1
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| InChIKey |
CNKVGRHQVUWEFQ-VWLOTQADSA-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