General Information of the Compound
| Compound ID |
CP0523693
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| Compound Name |
(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one
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| Structure |
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| Formula |
C26H33F4N5O3
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| Molecular Weight |
539.574
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNC(C)(C)CO)c3ccc(c(F)c3)C(F)(F)F)c12
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| InChI |
InChI=1S/C26H33F4N5O3/c1-15-10-20(37)22-21(15)23(32-14-31-22)34-6-8-35(9-7-34)24(38)17(12-33-25(2,3)13-36)16-4-5-18(19(27)11-16)26(28,29)30/h4-5,11,14-15,17,20,33,36-37H,6-10,12-13H2,1-3H3/t15-,17-,20-/m1/s1
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| InChIKey |
JVKUGJVIBUMCFL-WRWLIDTKSA-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