General Information of the Compound
| Compound ID |
CP0513859
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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-[(3R)-morpholin-3-yl]ethanone
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| Structure |
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| Formula |
C24H30ClN5O3
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| Molecular Weight |
471.989
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H]([C@@H]3COCCN3)c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C24H30ClN5O3/c1-15-12-19(31)22-20(15)23(28-14-27-22)29-7-9-30(10-8-29)24(32)21(18-13-33-11-6-26-18)16-2-4-17(25)5-3-16/h2-5,14-15,18-19,21,26,31H,6-13H2,1H3/t15-,18+,19-,21+/m1/s1
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| InChIKey |
PTVFSXRIKOGGFI-LKRGOLFISA-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