General Information of the Compound
| Compound ID |
CP0392033
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| Compound Name |
[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-phenylethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
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| Structure |
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| Formula |
C28H33ClN4OS
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| Molecular Weight |
509.119
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| Canonical SMILES |
C[C@@H](N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1ccc(Cl)cn1)c1ccccc1
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| InChI |
InChI=1S/C28H33ClN4OS/c1-20(21-5-3-2-4-6-21)31-24-8-9-25(26(17-24)22-11-16-35-19-22)28(34)33-14-12-32(13-15-33)27-10-7-23(29)18-30-27/h2-7,10-11,16,18-20,24-26,31H,8-9,12-15,17H2,1H3/t20-,24-,25+,26-/m1/s1
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| InChIKey |
LEHHYQLIWLBROC-YEHREXKJSA-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