General Information of the Compound
| Compound ID |
CP0908478
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| Compound Name |
SID85148524
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| Structure |
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| Formula |
C27H25FN2O4
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| Molecular Weight |
460.505
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| Canonical SMILES |
COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1
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| InChI |
InChI=1S/C27H25FN2O4/c1-33-26(31)25-22(18-9-11-21(23(28)14-18)17-6-3-2-4-7-17)15-19-10-12-24(25)30(19)27(32)29-16-20-8-5-13-34-20/h2-9,11,13-14,19,24H,10,12,15-16H2,1H3,(H,29,32)/t19-,24+/m0/s1
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| InChIKey |
RLESMRRFAOTYKF-YADARESESA-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