General Information of the Compound
| Compound ID |
CP0920730
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-6-methyl-1-(2-piperazin-1-yl-ethyl)-1H-pyrimidine-2,4-dione TFA
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| Structure |
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| Formula |
C27H31F4N5O4
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| Molecular Weight |
565.568
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| Canonical SMILES |
Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCN1CCNCC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H30FN5O2.C2HF3O2/c1-18-23(20-9-5-6-10-21(20)26)24(32)31(17-22(27)19-7-3-2-4-8-19)25(33)30(18)16-15-29-13-11-28-12-14-29;3-2(4,5)1(6)7/h2-10,22,28H,11-17,27H2,1H3;(H,6,7)/t22-;/m0./s1
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| InChIKey |
QTWDVAUJTBBPDH-FTBISJDPSA-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