General Information of the Compound
| Compound ID |
CP0462566
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| Compound Name |
1-((3S,4R)-3-(1-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazine-4-carbonyl)-4-(4-chlorophenyl)pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C29H36ClF3N4O2
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| Molecular Weight |
565.08
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)=O)C(F)(F)F
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| InChI |
InChI=1S/C29H36ClF3N4O2/c1-18(2)14-26(34)23-15-21(29(31,32)33)6-9-27(23)35-10-12-36(13-11-35)28(39)25-17-37(19(3)38)16-24(25)20-4-7-22(30)8-5-20/h4-9,15,18,24-26H,10-14,16-17,34H2,1-3H3/t24-,25+,26-/m0/s1
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| InChIKey |
XTCSPSZJBBGHKR-NXCFDTQHSA-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