General Information of the Compound
| Compound ID |
CP0461403
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| Compound Name |
4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-6-methyl-N-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H19Cl2FN6O
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| Molecular Weight |
509.372
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| Canonical SMILES |
Cc1n[nH]c2ccc(NC(=O)C3=C(C)N=C(NC3c3ccc(Cl)cc3F)c3ccnc(Cl)c3)cc12
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| InChI |
InChI=1S/C25H19Cl2FN6O/c1-12-18-11-16(4-6-20(18)34-33-12)31-25(35)22-13(2)30-24(14-7-8-29-21(27)9-14)32-23(22)17-5-3-15(26)10-19(17)28/h3-11,23H,1-2H3,(H,30,32)(H,31,35)(H,33,34)
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| InChIKey |
VLMQNCCSDWVDDD-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