General Information of the Compound
| Compound ID |
CP0553310
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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-[methyl(propan-2-yl)amino]propan-1-one
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| Structure |
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| Formula |
C25H34ClN5O2
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| Molecular Weight |
472.033
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| Canonical SMILES |
CC(C)N(C)C[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/C25H34ClN5O2/c1-16(2)29(4)14-20(18-5-7-19(26)8-6-18)25(33)31-11-9-30(10-12-31)24-22-17(3)13-21(32)23(22)27-15-28-24/h5-8,15-17,20-21,32H,9-14H2,1-4H3/t17-,20-,21-/m1/s1
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| InChIKey |
MGQHBEKIVYECCS-DUXKGJEZSA-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