General Information of the Compound
| Compound ID |
CP0126116
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| Compound Name |
4-[6-[6-(propan-2-ylamino)indol-1-yl]pyrazin-2-yl]benzoic acid
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| Structure |
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| Formula |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
CC(C)Nc1ccc2ccn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1
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| InChI |
InChI=1S/C22H20N4O2/c1-14(2)24-18-8-7-16-9-10-26(20(16)11-18)21-13-23-12-19(25-21)15-3-5-17(6-4-15)22(27)28/h3-14,24H,1-2H3,(H,27,28)
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| InChIKey |
OYFRKTHVILHHEH-UHFFFAOYSA-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