General Information of the Compound
| Compound ID |
CP0099316
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| Compound Name |
3-[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 |
C27H24N4O2
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| Molecular Weight |
436.515
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| Canonical SMILES |
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cccc(O)c1
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| InChI |
InChI=1S/C27H24N4O2/c1-17-23-13-19(10-11-25(23)31-30-17)24-14-21(29-26(16-32)18-6-3-2-4-7-18)15-28-27(24)20-8-5-9-22(33)12-20/h2-15,26,29,32-33H,16H2,1H3,(H,30,31)/t26-/m0/s1
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| InChIKey |
PQMJXZUWJZKZJJ-SANMLTNESA-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