General Information of the Compound
| Compound ID |
CP0524361
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| Compound Name |
6-(2-(1H-indol-3-yl)ethyl)-1-(2,6-difluorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C34H36F2N6O2
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| Molecular Weight |
598.698
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(CCc3c[nH]c4ccccc34)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C34H36F2N6O2/c1-39(16-13-25-7-4-5-15-37-25)19-20-41-33(43)28-22-40(17-12-24-21-38-31-11-3-2-8-26(24)31)18-14-32(28)42(34(41)44)23-27-29(35)9-6-10-30(27)36/h2-11,15,21,38H,12-14,16-20,22-23H2,1H3
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| InChIKey |
VTBVXMWPFNAGBO-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