General Information of the Compound
| Compound ID |
CP0906893
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| Compound Name |
SID131455650
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| Structure |
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| Formula |
C25H30ClFN2O4
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| Molecular Weight |
476.976
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| Canonical SMILES |
O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccccc1Cl
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| InChI |
InChI=1S/C25H30ClFN2O4/c26-22-4-2-1-3-18(22)12-28-25(31)11-21-9-10-23-24(33-21)16-32-15-20(30)14-29(23)13-17-5-7-19(27)8-6-17/h1-8,20-21,23-24,30H,9-16H2,(H,28,31)/t20-,21+,23+,24-/m0/s1
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| InChIKey |
XAUNYBFVYROVKE-SCDRESIJSA-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