General Information of the Compound
| Compound ID |
CP0906224
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| Compound Name |
SID131456584
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| Structure |
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| Formula |
C26H30F4N2O4
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| Molecular Weight |
510.528
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| Canonical SMILES |
O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(F)cc1
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| InChI |
InChI=1S/C26H30F4N2O4/c27-20-6-4-17(5-7-20)12-31-25(34)11-22-8-9-23-24(36-22)16-35-15-21(33)14-32(23)13-18-2-1-3-19(10-18)26(28,29)30/h1-7,10,21-24,33H,8-9,11-16H2,(H,31,34)/t21-,22-,23-,24+/m0/s1
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| InChIKey |
CDCIDHFBGGTAFL-NEWJYFPISA-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