General Information of the Compound
| Compound ID |
CP0519433
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| Compound Name |
CHEMBL4441105
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| Formula |
C24H40N4O4S
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| Molecular Weight |
480.675
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| Canonical SMILES |
CC(C)(C)CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C24H40N4O4S/c1-24(2,3)16-25-19-8-4-17(5-9-19)15-33(30,31)28-12-10-20(11-13-28)26-23(29)21-14-22(32-27-21)18-6-7-18/h14,17-20,25H,4-13,15-16H2,1-3H3,(H,26,29)/t17-,19-
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| InChIKey |
MWLVDPRDUGNQBA-UAPYVXQJSA-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