General Information of the Compound
| Compound ID |
CP0970487
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| Compound Name |
4-[3-(4-{[2-(3-{[(1r,4r)-4-Carboxycyclohexyl](ethyl)sulfamoyl}benzamido)-1H-indole-3-carbonyl]amino}phenyl)propyl]benzoic acid
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| Formula |
C41H42N4O8S
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| Molecular Weight |
750.874
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| Canonical SMILES |
CCN([C@H]1CC[C@H](C(=O)O)CC1)S(=O)(=O)c1cccc(C(=O)Nc2[nH]c3ccccc3c2C(=O)Nc2ccc(CCCc3ccc(C(=O)O)cc3)cc2)c1
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| InChI |
InChI=1S/C41H42N4O8S/c1-2-45(32-23-19-29(20-24-32)41(50)51)54(52,53)33-10-6-9-30(25-33)38(46)44-37-36(34-11-3-4-12-35(34)43-37)39(47)42-31-21-15-27(16-22-31)8-5-7-26-13-17-28(18-14-26)40(48)49/h3-4,6,9-18,21-22,25,29,32,43H,2,5,7-8,19-20,23-24H2,1H3,(H,42,47)(H,44,46)(H,48,49)(H,50,51)/t29-,32-
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| InChIKey |
YRXRDSTWPUJTLT-CUYOJZMFSA-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