General Information of the Compound
| Compound ID |
CP0458481
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| Compound Name |
(R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-((1-(pyridin-2-ylmethyl)pyrrolidin-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C32H32ClF2N5O2
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| Molecular Weight |
592.09
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| Canonical SMILES |
Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@H]2CCCN2Cc2ccccn2)c1=O
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| InChI |
InChI=1S/C32H32ClF2N5O2/c33-23-11-9-22(10-12-23)17-37-16-13-30-27(20-37)31(41)40(32(42)39(30)21-26-28(34)7-3-8-29(26)35)19-25-6-4-15-38(25)18-24-5-1-2-14-36-24/h1-3,5,7-12,14,25H,4,6,13,15-21H2/t25-/m1/s1
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| InChIKey |
ZYFQUKXLKFLJCB-RUZDIDTESA-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