General Information of the Compound
| Compound ID |
CP0912241
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| Compound Name |
SID131455664
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| Structure |
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| Formula |
C25H37FN2O4
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| Molecular Weight |
448.579
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| Canonical SMILES |
O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1
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| InChI |
InChI=1S/C25H37FN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22-,23-,24+/m0/s1
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| InChIKey |
LWYACWLHCWNNJE-NEWJYFPISA-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