General Information of the Compound
| Compound ID |
CP0553501
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| Compound Name |
1-cyclopentyl-3-(4-fluorophenyl)-N-[4-[6-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyrimidin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide
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| Formula |
C37H42FN9O5
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| Molecular Weight |
711.799
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| Canonical SMILES |
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C4CCCC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
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| InChI |
InChI=1S/C37H42FN9O5/c1-43-18-20-44(21-19-43)27-14-16-45(17-15-27)36(50)42-32-22-33(40-24-39-32)52-30-12-8-26(9-13-30)41-34(48)31-23-46(28-4-2-3-5-28)37(51)47(35(31)49)29-10-6-25(38)7-11-29/h6-13,22-24,27-28H,2-5,14-21H2,1H3,(H,41,48)(H,39,40,42,50)
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| InChIKey |
IITRYWKRMYPEEH-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