General Information of the Compound
| Compound ID |
CP0408584
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| Compound Name |
US9290454, 3.5
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| Structure |
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| Formula |
C30H29FN2O5
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| Molecular Weight |
516.569
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| Canonical SMILES |
COc1cccc(c1)-n1c(CCCCC(O)=O)cc2cc(ccc2c1=O)C(=O)N[C@H](C)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H29FN2O5/c1-19(20-10-13-23(31)14-11-20)32-29(36)21-12-15-27-22(16-21)17-24(6-3-4-9-28(34)35)33(30(27)37)25-7-5-8-26(18-25)38-2/h5,7-8,10-19H,3-4,6,9H2,1-2H3,(H,32,36)(H,34,35)/t19-/m1/s1
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| InChIKey |
DOKVJJBSEMHNGP-LJQANCHMSA-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