General Information of the Compound
| Compound ID |
CP0572465
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| Compound Name |
US9290454, 3.6
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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 |
COc1ccccc1-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(20-11-14-23(31)15-12-20)32-29(36)21-13-16-25-22(17-21)18-24(7-3-6-10-28(34)35)33(30(25)37)26-8-4-5-9-27(26)38-2/h4-5,8-9,11-19H,3,6-7,10H2,1-2H3,(H,32,36)(H,34,35)/t19-/m1/s1
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| InChIKey |
JUMSOIBYWBSHJA-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