General Information of the Compound
| Compound ID |
CP0498650
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| Compound Name |
2-(1-(5-chlorobenzo[b]thiophen-2-ylsulfonyl)-3-oxopiperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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| Structure |
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| Formula |
C30H35ClN4O4S2
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| Molecular Weight |
615.221
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| Canonical SMILES |
Clc1ccc2sc(cc2c1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
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| InChI |
InChI=1S/C30H35ClN4O4S2/c31-23-8-10-27-22(16-23)17-29(40-27)41(38,39)35-14-11-32-30(37)26(35)18-28(36)33-25-6-4-5-21-15-20(7-9-24(21)25)19-34-12-2-1-3-13-34/h7-10,15-17,25-26H,1-6,11-14,18-19H2,(H,32,37)(H,33,36)/t25-,26?/m1/s1
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| InChIKey |
NOKSBEXBFKDPMO-DCWQJPKNSA-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