General Information of the Compound
| Compound ID |
CP0449034
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| Compound Name |
(4-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
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| Structure |
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| Formula |
C29H41ClN4O
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| Molecular Weight |
497.127
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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)C(C)C
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| InChI |
InChI=1S/C29H41ClN4O/c1-19(2)28(31)24-16-21(5)6-11-27(24)32-12-14-33(15-13-32)29(35)26-18-34(20(3)4)17-25(26)22-7-9-23(30)10-8-22/h6-11,16,19-20,25-26,28H,12-15,17-18,31H2,1-5H3/t25-,26+,28-/m0/s1
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| InChIKey |
PIAXFSZWLUXWOO-REUBFRLUSA-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