General Information of the Compound
| Compound ID |
CP0533077
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| Compound Name |
1-(2,6-difluoro-benzyl)-7-[4-imidazol-1-yl-benzyl]-3-(3-methoxy-phenyl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H27F2N5O3
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| Molecular Weight |
555.585
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| Canonical SMILES |
COc1cccc(c1)-n1c(=O)c2CCN(Cc3ccc(cc3)-n3ccnc3)Cc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C31H27F2N5O3/c1-41-24-5-2-4-23(16-24)38-30(39)25-12-14-35(17-21-8-10-22(11-9-21)36-15-13-34-20-36)19-29(25)37(31(38)40)18-26-27(32)6-3-7-28(26)33/h2-11,13,15-16,20H,12,14,17-19H2,1H3
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| InChIKey |
RTBDTTRVAZNIGB-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