General Information of the Compound
| Compound ID |
CP0537808
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H32ClF2N5O2
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| Molecular Weight |
580.079
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| Canonical SMILES |
Cc1c(N2CCN(Cc3ccccc3Cl)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C31H32ClF2N5O2/c1-21-29(37-16-14-36(15-17-37)18-23-10-5-6-11-25(23)32)30(40)39(20-28(35)22-8-3-2-4-9-22)31(41)38(21)19-24-26(33)12-7-13-27(24)34/h2-13,28H,14-20,35H2,1H3/t28-/m0/s1
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| InChIKey |
SSBNMFCBOYAQQM-NDEPHWFRSA-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