General Information of the Compound
| Compound ID |
CP0900537
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| Compound Name |
SID131463065
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| Structure |
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| Formula |
C28H29F2N3O2
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| Molecular Weight |
477.555
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| Canonical SMILES |
O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1
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| InChI |
InChI=1S/C28H29F2N3O2/c29-22-10-12-24(13-11-22)31-28(35)32-14-1-2-15-33-25(17-32)27(26(33)18-34)20-8-6-19(7-9-20)21-4-3-5-23(30)16-21/h3-13,16,25-27,34H,1-2,14-15,17-18H2,(H,31,35)/t25-,26-,27-/m0/s1
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| InChIKey |
XEDUWHKTEWQBCW-QKDODKLFSA-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