General Information of the Compound
| Compound ID |
CP0512230
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| Compound Name |
US11078186, Example 121
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| Structure |
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| Formula |
C29H31F7N2O4
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| Molecular Weight |
604.563
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| Canonical SMILES |
COCC(=O)N1CCC(CC1)C(=O)N1C[C@@H](c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)[C@](C)(C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H31F7N2O4/c1-26(20-7-9-22(30)10-8-20)17-38(25(40)19-11-13-37(14-12-19)24(39)16-42-2)15-23(26)18-3-5-21(6-4-18)27(41,28(31,32)33)29(34,35)36/h3-10,19,23,41H,11-17H2,1-2H3/t23-,26+/m0/s1
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| InChIKey |
WVOHMJUIXOIMSP-JYFHCDHNSA-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