General Information of the Compound
| Compound ID |
CP0288325
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| Compound Name |
(S)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-methyl-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)propyl)pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C30H32F2N4O3
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| Molecular Weight |
534.607
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N(C)CCc2ccccn2)c1=O
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| InChI |
InChI=1S/C30H32F2N4O3/c1-20(34(3)16-14-23-10-5-6-15-33-23)18-36-29(37)28(22-9-7-11-24(17-22)39-4)21(2)35(30(36)38)19-25-26(31)12-8-13-27(25)32/h5-13,15,17,20H,14,16,18-19H2,1-4H3/t20-/m0/s1
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| InChIKey |
OFKJZTZWKLEUHT-FQEVSTJZSA-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