General Information of the Compound
| Compound ID |
CP0534503
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| Compound Name |
CHEMBL4563628
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| Formula |
C25H39F3N4O4S
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| Molecular Weight |
548.672
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| Canonical SMILES |
CCN(CCCC(F)(F)F)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C25H39F3N4O4S/c1-2-31(13-3-12-25(26,27)28)21-8-4-18(5-9-21)17-37(34,35)32-14-10-20(11-15-32)29-24(33)22-16-23(36-30-22)19-6-7-19/h16,18-21H,2-15,17H2,1H3,(H,29,33)/t18-,21-
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| InChIKey |
ADRNSZIGKAGUQZ-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