General Information of the Compound
| Compound ID |
CP0907295
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| Compound Name |
SID144192178
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| Structure |
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| Formula |
C28H22F2N2O3
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| Molecular Weight |
472.491
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| Canonical SMILES |
O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1
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| InChI |
InChI=1S/C28H22F2N2O3/c29-22-11-5-19(6-12-22)2-1-18-3-7-20(8-4-18)27-24-15-31(16-26(34)32(24)25(27)17-33)28(35)21-9-13-23(30)14-10-21/h3-14,24-25,27,33H,15-17H2/t24-,25-,27-/m0/s1
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| InChIKey |
XXNNARHEAZVOIH-KLJDGLGGSA-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