General Information of the Compound
| Compound ID |
CP0432037
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| Compound Name |
(S)-N-(2-morpholinoethyl)-1-(naphthalen-2-ylsulfonyl)-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C34H44N4O4S
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| Molecular Weight |
604.817
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| Canonical SMILES |
O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N(CCN1CCOCC1)C1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C34H44N4O4S/c39-34(33-11-6-17-38(33)43(40,41)32-13-12-29-9-4-5-10-30(29)27-32)37(22-21-36-23-25-42-26-24-36)31-15-19-35(20-16-31)18-14-28-7-2-1-3-8-28/h1-5,7-10,12-13,27,31,33H,6,11,14-26H2/t33-/m0/s1
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| InChIKey |
SDKQQZRGCACOCL-XIFFEERXSA-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