General Information of the Compound
| Compound ID |
CP0941620
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| Compound Name |
SID144192256
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| Structure |
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| Formula |
C26H23F2N3O3
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| Molecular Weight |
463.484
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| Canonical SMILES |
O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1
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| InChI |
InChI=1S/C26H23F2N3O3/c27-19-7-5-17(6-8-19)16-1-3-18(4-2-16)25-22-13-30(14-24(33)31(22)23(25)15-32)26(34)29-21-11-9-20(28)10-12-21/h1-12,22-23,25,32H,13-15H2,(H,29,34)/t22-,23-,25+/m0/s1
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| InChIKey |
QMDNDJCCBDKKQB-SONWIMMPSA-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