General Information of the Compound
| Compound ID |
CP0425990
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| Compound Name |
CHEMBL2046859
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| Formula |
C23H27ClN2
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| Molecular Weight |
366.936
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| Canonical SMILES |
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C23H27ClN2/c1-17-14-21-22(15-17)23(21,18-6-5-7-19(24)16-18)26-12-10-25(11-13-26)20-8-3-2-4-9-20/h2-9,16-17,21-22H,10-15H2,1H3/t17-,21-,22+,23+
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| InChIKey |
HQUMRIMZYIEYKN-WKJJFCIUSA-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