General Information of the Compound
| Compound ID |
CP0156900
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| Compound Name |
(S)-1-(2,6-difluorobenzyl)-3-(2-(cyclopentylamino)propyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C27H30F3N3O3
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| Molecular Weight |
501.549
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O
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| InChI |
InChI=1S/C27H30F3N3O3/c1-16(31-18-8-4-5-9-18)14-33-26(34)24(19-10-6-13-23(36-3)25(19)30)17(2)32(27(33)35)15-20-21(28)11-7-12-22(20)29/h6-7,10-13,16,18,31H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1
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| InChIKey |
XTOLERVEHAIVDS-INIZCTEOSA-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