General Information of the Compound
| Compound ID |
CP0551369
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| Compound Name |
CHEMBL4515665
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| Formula |
C26H35FN4O4S
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| Molecular Weight |
518.655
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| Canonical SMILES |
Fc1ccccc1CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C26H35FN4O4S/c27-23-4-2-1-3-20(23)16-28-21-9-5-18(6-10-21)17-36(33,34)31-13-11-22(12-14-31)29-26(32)24-15-25(35-30-24)19-7-8-19/h1-4,15,18-19,21-22,28H,5-14,16-17H2,(H,29,32)/t18-,21-
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| InChIKey |
LFORFCPNUIBQQZ-XGAFWQRZSA-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