General Information of the Compound
| Compound ID |
CP0943628
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| Compound Name |
US8921559, 25
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| Formula |
C30H33F2N3O3
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| Molecular Weight |
521.608
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| Canonical SMILES |
O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1
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| InChI |
InChI=1S/C30H33F2N3O3/c31-22-15-19(16-23(32)17-22)5-10-28(36)35-13-11-21(12-14-35)29(30(37)38)34-24-8-6-20(7-9-24)26-18-33-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,33-34H,6-9,11-14H2,(H,37,38)/b10-5+/t20-,24-,29?
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| InChIKey |
TUSQSIPKKLOQRC-GNVGAZDYSA-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