General Information of the Compound
| Compound ID |
CP0565716
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| Compound Name |
US8629282, 13
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| Structure |
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| Formula |
C30H29F3N4O6
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| Molecular Weight |
598.578
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| Canonical SMILES |
CCOC(=O)C1CCCC(C1)N[C@@H]1COc2cc(ccc2[C@@H]1O)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C30H29F3N4O6/c1-2-40-29(39)18-9-6-10-19(13-18)34-21-15-41-22-14-17(11-12-20(22)25(21)38)27-35-28(43-37-27)26-23(30(31,32)33)24(36-42-26)16-7-4-3-5-8-16/h3-5,7-8,11-12,14,18-19,21,25,34,38H,2,6,9-10,13,15H2,1H3/t18?,19?,21-,25+/m1/s1
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| InChIKey |
KVGPVCYSGPUFTJ-PLDDNXQDSA-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