General Information of the Compound
| Compound ID |
CP0440330
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C33H37F2N5O2
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| Molecular Weight |
573.688
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| Canonical SMILES |
Cc1c(N2CCN(CCCc3ccccc3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C33H37F2N5O2/c1-24-31(38-20-18-37(19-21-38)17-9-12-25-10-4-2-5-11-25)32(41)40(23-30(36)26-13-6-3-7-14-26)33(42)39(24)22-27-28(34)15-8-16-29(27)35/h2-8,10-11,13-16,30H,9,12,17-23,36H2,1H3/t30-/m0/s1
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| InChIKey |
RRWOLNYKWAOYTI-PMERELPUSA-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