General Information of the Compound
| Compound ID |
CP0532893
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(3-phenylpiperazin-1-yl)pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H31F2N5O2
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| Molecular Weight |
531.607
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| Canonical SMILES |
Cc1c(N2CCNC(C2)c2ccccc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C30H31F2N5O2/c1-20-28(35-16-15-34-27(19-35)22-11-6-3-7-12-22)29(38)37(18-26(33)21-9-4-2-5-10-21)30(39)36(20)17-23-24(31)13-8-14-25(23)32/h2-14,26-27,34H,15-19,33H2,1H3/t26-,27?/m0/s1
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| InChIKey |
ADEOHPQTUJXQAG-QBHOUYDASA-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