General Information of the Compound
| Compound ID |
CP0574923
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| Compound Name |
2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methylindazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
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| Formula |
C35H35F2N7O2S
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| Molecular Weight |
655.775
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| Canonical SMILES |
Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1ccc(CN2CCC(CO)CC2)cc1
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| InChI |
InChI=1S/C35H35F2N7O2S/c1-22-26(9-8-23-4-6-24(7-5-23)18-42-14-10-25(20-45)11-15-42)17-27(33(36)37)28-19-44(41-30(22)28)32(34(46)40-35-38-12-16-47-35)31-29-3-2-13-43(29)21-39-31/h4-7,12,16-17,19,21,25,32-33,45H,2-3,10-11,13-15,18,20H2,1H3,(H,38,40,46)
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| InChIKey |
GIMNEHHOQCWBNT-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