General Information of the Compound
| Compound ID |
CP0109448
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| Compound Name |
(2R)-2-[[5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-yl]amino]-2-phenylethanol
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| Structure |
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| Formula |
C27H24N4O
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| Molecular Weight |
420.516
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| Canonical SMILES |
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccccc1
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| InChI |
InChI=1S/C27H24N4O/c1-18-23-14-21(12-13-25(23)31-30-18)24-15-22(16-28-27(24)20-10-6-3-7-11-20)29-26(17-32)19-8-4-2-5-9-19/h2-16,26,29,32H,17H2,1H3,(H,30,31)/t26-/m0/s1
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| InChIKey |
RZAIWUITRQUFPP-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