General Information of the Compound
| Compound ID |
CP0311953
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| Compound Name |
US11078186, Example 122
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| Structure |
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| Formula |
C28H28F7N3O4
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| Molecular Weight |
603.535
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| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(=O)C(N)=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28F7N3O4/c1-25(18-6-8-20(29)9-7-18)15-38(23(40)17-10-12-37(13-11-17)24(41)22(36)39)14-21(25)16-2-4-19(5-3-16)26(42,27(30,31)32)28(33,34)35/h2-9,17,21,42H,10-15H2,1H3,(H2,36,39)/t21-,25+/m0/s1
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| InChIKey |
CHCJZXNIBIVOCD-SQJMNOBHSA-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