General Information of the Compound
| Compound ID |
CP0519915
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| Compound Name |
US9365558, 95
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| Structure |
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| Formula |
C30H32F6N4O4S
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| Molecular Weight |
658.665
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| Canonical SMILES |
FC(F)(F)CC\C=C\CCn1cc(cn1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc2CCCCc2c1)C(F)(F)F
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| InChI |
InChI=1S/C30H32F6N4O4S/c31-29(32,33)13-5-1-2-6-14-40-18-22(17-37-40)28(30(34,35)36)16-24(21-10-9-19-7-3-4-8-20(19)15-21)25(26(41)38-28)27(42)39-45(43,44)23-11-12-23/h1-2,9-10,15,17-18,23H,3-8,11-14,16H2,(H,38,41)(H,39,42)/b2-1+/t28-/m0/s1
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| InChIKey |
CRNXUAVAQHESMR-ZRYYHZBOSA-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