General Information of the Compound
| Compound ID |
CP0566934
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| Compound Name |
1-cyclopropyl-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 |
C35H38FN9O5
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| Molecular Weight |
683.745
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| Canonical SMILES |
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2)ncn1
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| InChI |
InChI=1S/C35H38FN9O5/c1-41-16-18-42(19-17-41)25-12-14-43(15-13-25)34(48)40-30-20-31(38-22-37-30)50-28-10-4-24(5-11-28)39-32(46)29-21-44(26-8-9-26)35(49)45(33(29)47)27-6-2-23(36)3-7-27/h2-7,10-11,20-22,25-26H,8-9,12-19H2,1H3,(H,39,46)(H,37,38,40,48)
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| InChIKey |
BQOPPXMDAUTYSM-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