General Information of the Compound
| Compound ID |
CP0427692
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| Compound Name |
CHEMBL4532881
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| Formula |
C27H38N4O4S
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| Molecular Weight |
514.692
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| Canonical SMILES |
Cc1ccccc1CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C27H38N4O4S/c1-19-4-2-3-5-22(19)17-28-23-10-6-20(7-11-23)18-36(33,34)31-14-12-24(13-15-31)29-27(32)25-16-26(35-30-25)21-8-9-21/h2-5,16,20-21,23-24,28H,6-15,17-18H2,1H3,(H,29,32)/t20-,23-
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| InChIKey |
GRLRSJZBFKLGRV-JKIUYZKVSA-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