General Information of the Compound
| Compound ID |
CP0391648
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| Compound Name |
CHEMBL4580679
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| Formula |
C29H34N4
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| Molecular Weight |
438.619
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| Canonical SMILES |
C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(cc1)\N=N\c1ccccc1
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| InChI |
InChI=1S/C29H34N4/c1-3-7-25(8-4-1)26-13-17-29(18-14-26)33-21-19-32(20-22-33)23-24-11-15-28(16-12-24)31-30-27-9-5-2-6-10-27/h1-12,15-16,26,29H,13-14,17-23H2/b31-30+/t26-,29+
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| InChIKey |
QLIGVLXYBKGYKY-HPLPCMJKSA-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