General Information of the Compound
| Compound ID |
CP0303440
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| Compound Name |
N-[5-[[14-(2,3-dihydroxypropylcarbamoyl)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]-2-fluorophenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C30H26FN3O5S
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| Molecular Weight |
559.619
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| Canonical SMILES |
OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C30H26FN3O5S/c31-25-10-8-21(14-26(25)34-30(39)27-2-1-11-40-27)33-20-7-9-23-18(12-20)5-3-17-4-6-19(13-24(17)28(23)37)29(38)32-15-22(36)16-35/h1-2,4,6-14,22,33,35-36H,3,5,15-16H2,(H,32,38)(H,34,39)
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| InChIKey |
OHJJBEBQZVAYHW-UHFFFAOYSA-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