General Information of the Compound
| Compound ID |
CP0523414
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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]-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one
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| Structure |
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| Formula |
C25H34ClN5O3
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| Molecular Weight |
488.032
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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(Cl)cc3)c12
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| InChI |
InChI=1S/C25H34ClN5O3/c1-16-12-20(33)22-21(16)23(28-15-27-22)30-8-10-31(11-9-30)24(34)19(13-29-25(2,3)14-32)17-4-6-18(26)7-5-17/h4-7,15-16,19-20,29,32-33H,8-14H2,1-3H3/t16-,19-,20-/m1/s1
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| InChIKey |
FYEWVYNHLZNOSJ-NSISKUIASA-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