General Information of the Compound
| Compound ID |
CP0844361
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| Compound Name |
SID49672767
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| Structure |
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| Formula |
C26H29ClN2O2
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| Molecular Weight |
436.983
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| Canonical SMILES |
OC(COC(c1ccccc1)c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C26H29ClN2O2/c27-23-12-7-13-24(18-23)29-16-14-28(15-17-29)19-25(30)20-31-26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,25-26,30H,14-17,19-20H2
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| InChIKey |
VRJIARCVQYLUSK-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