General Information of the Compound
| Compound ID |
CP0488531
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| Compound Name |
(2S)-3-amino-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]propan-1-one
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| Structure |
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| Formula |
C22H26F3N5O2
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| Molecular Weight |
449.477
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)c3ccc(cc3)C(F)(F)F)c12
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| InChI |
InChI=1S/C22H26F3N5O2/c1-13-10-17(31)19-18(13)20(28-12-27-19)29-6-8-30(9-7-29)21(32)16(11-26)14-2-4-15(5-3-14)22(23,24)25/h2-5,12-13,16-17,31H,6-11,26H2,1H3/t13-,16-,17-/m1/s1
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| InChIKey |
HRAHACAUFMCZSB-KBRIMQKVSA-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