General Information of the Compound
| Compound ID |
CP0389664
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| Compound Name |
(2S)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C26H33ClFN5O2
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| Molecular Weight |
502.034
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CN3CCC(F)CC3)c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C26H33ClFN5O2/c1-17-14-22(34)24-23(17)25(30-16-29-24)32-10-12-33(13-11-32)26(35)21(18-2-4-19(27)5-3-18)15-31-8-6-20(28)7-9-31/h2-5,16-17,20-22,34H,6-15H2,1H3/t17-,21-,22-/m1/s1
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| InChIKey |
DMFQEDIRMMWZOK-ZPMCFJSWSA-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