General Information of the Compound
| Compound ID |
CP0438646
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| Compound Name |
CHEMBL4460507
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| Formula |
C25H34FN5O4S
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| Molecular Weight |
519.643
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| Canonical SMILES |
Fc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)nc1
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| InChI |
InChI=1S/C25H34FN5O4S/c26-19-5-8-22(27-14-19)15-28-20-6-1-17(2-7-20)16-36(33,34)31-11-9-21(10-12-31)29-25(32)23-13-24(35-30-23)18-3-4-18/h5,8,13-14,17-18,20-21,28H,1-4,6-7,9-12,15-16H2,(H,29,32)/t17-,20-
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| InChIKey |
BJBVCVJJHUAAGV-IRJFHVNHSA-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