General Information of the Compound
| Compound ID |
CP0176831
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| Compound Name |
4-[2-(4-cyclopropylimidazol-1-yl)-4-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]morpholine
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| Formula |
C28H30N8O
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| Molecular Weight |
494.603
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| Canonical SMILES |
CC(C)n1cnnc1-c1ccc2[nH]nc(-c3ccc(N4CCOCC4)c(c3)-n3cnc(c3)C3CC3)c2c1
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| InChI |
InChI=1S/C28H30N8O/c1-18(2)36-17-30-33-28(36)21-5-7-23-22(13-21)27(32-31-23)20-6-8-25(34-9-11-37-12-10-34)26(14-20)35-15-24(29-16-35)19-3-4-19/h5-8,13-19H,3-4,9-12H2,1-2H3,(H,31,32)
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| InChIKey |
SKCKODMQNKHQBI-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