General Information of the Compound
| Compound ID |
CP0900526
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| Compound Name |
SID131464558
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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(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1
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| InChI |
InChI=1S/C28H29F2N3O2/c29-21-6-5-7-22(16-21)31-28(35)32-14-3-4-15-33-25(17-32)27(26(33)18-34)20-12-10-19(11-13-20)23-8-1-2-9-24(23)30/h1-2,5-13,16,25-27,34H,3-4,14-15,17-18H2,(H,31,35)/t25-,26-,27+/m1/s1
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| InChIKey |
GHYNYWARBDBVDQ-PFBJBMPXSA-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