General Information of the Compound
| Compound ID |
CP0513860
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| Compound Name |
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-piperidin-2-yl]ethanone
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| Structure |
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| Formula |
C25H32ClN5O2
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| Molecular Weight |
470.017
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H]([C@@H]3CCCCN3)c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C25H32ClN5O2/c1-16-14-20(32)23-21(16)24(29-15-28-23)30-10-12-31(13-11-30)25(33)22(19-4-2-3-9-27-19)17-5-7-18(26)8-6-17/h5-8,15-16,19-20,22,27,32H,2-4,9-14H2,1H3/t16-,19+,20-,22+/m1/s1
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| InChIKey |
XLELDVURKKAFNR-QEMXTEJRSA-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