General Information of the Compound
| Compound ID |
CP0568400
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| Compound Name |
US9290454, 3.3
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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 |
COc1ccc(cc1)-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(20-7-10-23(31)11-8-20)32-29(36)21-9-16-27-22(17-21)18-25(5-3-4-6-28(34)35)33(30(27)37)24-12-14-26(38-2)15-13-24/h7-19H,3-6H2,1-2H3,(H,32,36)(H,34,35)/t19-/m1/s1
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| InChIKey |
ZXCPNKCBLXTXOP-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