General Information of the Compound
| Compound ID |
CP0482861
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-[4-(cyclohexylmethyl)piperazin-1-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H39F2N5O2
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| Molecular Weight |
551.682
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| Canonical SMILES |
Cc1c(N2CCN(CC3CCCCC3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C31H39F2N5O2/c1-22-29(36-17-15-35(16-18-36)19-23-9-4-2-5-10-23)30(39)38(21-28(34)24-11-6-3-7-12-24)31(40)37(22)20-25-26(32)13-8-14-27(25)33/h3,6-8,11-14,23,28H,2,4-5,9-10,15-21,34H2,1H3/t28-/m0/s1
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| InChIKey |
ZKCLBPODWZHTRM-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