General Information of the Compound
| Compound ID |
CP0185277
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| Compound Name |
(4-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-yl)methanone
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| Structure |
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| Formula |
C31H43ClN4O2
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| Molecular Weight |
539.164
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| Canonical SMILES |
CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
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| InChI |
InChI=1S/C31H43ClN4O2/c1-21(2)30(33)26-18-22(3)4-9-29(26)34-12-14-35(15-13-34)31(37)28-20-36(25-10-16-38-17-11-25)19-27(28)23-5-7-24(32)8-6-23/h4-9,18,21,25,27-28,30H,10-17,19-20,33H2,1-3H3/t27-,28+,30-/m0/s1
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| InChIKey |
KHUSEOUYELGLMC-LXQNXJGFSA-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