General Information of the Compound
| Compound ID |
CP0557253
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| Compound Name |
CHEMBL4452997
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| Formula |
C24H37F3N4O4S
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| Molecular Weight |
534.645
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| Canonical SMILES |
CN(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/C24H37F3N4O4S/c1-30(12-2-11-24(25,26)27)20-7-3-17(4-8-20)16-36(33,34)31-13-9-19(10-14-31)28-23(32)21-15-22(35-29-21)18-5-6-18/h15,17-20H,2-14,16H2,1H3,(H,28,32)/t17-,20-
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| InChIKey |
YRSVLSCPNHQEEK-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