General Information of the Compound
| Compound ID |
CP0538837
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| Compound Name |
(S)-N-(1-(3-methoxyphenethyl)piperidin-4-yl)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C30H36ClN3O4S
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| Molecular Weight |
570.155
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| Canonical SMILES |
COc1cccc(CCN2CCC(CC2)N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1
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| InChI |
InChI=1S/C30H36ClN3O4S/c1-32(24-14-18-33(19-15-24)17-13-22-6-3-8-25(20-22)38-2)30(35)29-10-5-16-34(29)39(36,37)26-11-12-27-23(21-26)7-4-9-28(27)31/h3-4,6-9,11-12,20-21,24,29H,5,10,13-19H2,1-2H3/t29-/m0/s1
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| InChIKey |
MLLRKHUYNKZGBH-LJAQVGFWSA-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