General Information of the Compound
| Compound ID |
CP0389665
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| Compound Name |
(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)-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 |
C23H29ClFN5O2
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| Molecular Weight |
461.969
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCF)c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C23H29ClFN5O2/c1-15-12-19(31)21-20(15)22(28-14-27-21)29-8-10-30(11-9-29)23(32)18(13-26-7-6-25)16-2-4-17(24)5-3-16/h2-5,14-15,18-19,26,31H,6-13H2,1H3/t15-,18-,19-/m1/s1
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| InChIKey |
FBKMTIFHOJFMDP-ATZDWAIDSA-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