General Information of the Compound
| Compound ID |
CP0526643
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| Compound Name |
2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-[1-(4-chlorophenyl)propan-2-yl]-4-(2,6-dimethoxypyridin-3-yl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H28ClN5O5
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| Molecular Weight |
562.026
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| Canonical SMILES |
COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NC(C)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H28ClN5O5/c1-17(12-18-4-7-20(30)8-5-18)33-27(36)22-15-32-29(31-14-19-6-10-23-24(13-19)40-16-39-23)35-26(22)21-9-11-25(37-2)34-28(21)38-3/h4-11,13,15,17H,12,14,16H2,1-3H3,(H,33,36)(H,31,32,35)
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| InChIKey |
XKLYEDFEHKNGKN-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