General Information of the Compound
| Compound ID |
CP0225984
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| Compound Name |
(S)-3-(2-amino-3-(1H-indol-3-yl)propoxy)-6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)picolinonitrile
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| Structure |
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| Formula |
C27H22N8O2
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| Molecular Weight |
490.527
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| Canonical SMILES |
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N
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| InChI |
InChI=1S/C27H22N8O2/c1-15-25-27(35-34-15)31-12-23(33-25)20-9-24(22(10-28)32-26(20)16-6-7-36-13-16)37-14-18(29)8-17-11-30-21-5-3-2-4-19(17)21/h2-7,9,11-13,18,30H,8,14,29H2,1H3,(H,31,34,35)/t18-/m0/s1
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| InChIKey |
LAJHRQQVGFRLQL-SFHVURJKSA-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