General Information of the Compound
| Compound ID |
CP0490056
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| Compound Name |
1-(3-Amino-3-pyridin-3-yl-propyl)-3-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C25H23F2N5O4
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| Molecular Weight |
495.486
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)n(CCC(N)c2cccnc2)c(=O)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C25H23F2N5O4/c1-36-18-7-2-6-17(13-18)32-24(34)30(12-10-22(28)16-5-4-11-29-14-16)23(33)31(25(32)35)15-19-20(26)8-3-9-21(19)27/h2-9,11,13-14,22H,10,12,15,28H2,1H3
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| InChIKey |
XBUNMSOABQGHFH-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