General Information of the Compound
| Compound ID |
CP0441893
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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-(2-methoxyethylamino)propan-1-one
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| Structure |
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| Formula |
C24H32ClN5O3
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| Molecular Weight |
474.005
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| Canonical SMILES |
COCCNC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H32ClN5O3/c1-16-13-20(31)22-21(16)23(28-15-27-22)29-8-10-30(11-9-29)24(32)19(14-26-7-12-33-2)17-3-5-18(25)6-4-17/h3-6,15-16,19-20,26,31H,7-14H2,1-2H3/t16-,19-,20-/m1/s1
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| InChIKey |
FSRSVUZZWCRRDS-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