General Information of the Compound
| Compound ID |
CP0474461
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| Compound Name |
(R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C26H27ClF2N4O2
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| Molecular Weight |
500.977
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| Canonical SMILES |
Fc1cccc(F)c1Cn1c2CCN(Cc3ccc(Cl)cc3)Cc2c(=O)n(C[C@H]2CCCN2)c1=O
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| InChI |
InChI=1S/C26H27ClF2N4O2/c27-18-8-6-17(7-9-18)13-31-12-10-24-21(15-31)25(34)33(14-19-3-2-11-30-19)26(35)32(24)16-20-22(28)4-1-5-23(20)29/h1,4-9,19,30H,2-3,10-16H2/t19-/m1/s1
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| InChIKey |
JXRZZUPPJWMGBX-LJQANCHMSA-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