General Information of the Compound
| Compound ID |
CP0461405
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| Compound Name |
2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H19ClFN5O
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| Molecular Weight |
459.912
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| Canonical SMILES |
CC1=C(C(NC(=N1)c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C25H19ClFN5O/c1-14-22(25(33)30-20-10-11-21-17(12-20)13-28-32-21)23(15-4-8-19(27)9-5-15)31-24(29-14)16-2-6-18(26)7-3-16/h2-13,23H,1H3,(H,28,32)(H,29,31)(H,30,33)
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| InChIKey |
AWRVIPPIMTUXRX-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