General Information of the Compound
| Compound ID |
CP0558512
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| Compound Name |
CHEMBL4563960
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| Formula |
C23H38N4O4S
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| Molecular Weight |
466.648
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| Canonical SMILES |
CC(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/C23H38N4O4S/c1-16(2)14-24-19-7-3-17(4-8-19)15-32(29,30)27-11-9-20(10-12-27)25-23(28)21-13-22(31-26-21)18-5-6-18/h13,16-20,24H,3-12,14-15H2,1-2H3,(H,25,28)/t17-,19-
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| InChIKey |
QOAQQBRCZKPZOI-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