General Information of the Compound
| Compound ID |
CP0554591
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| Compound Name |
CHEMBL4475503
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| Formula |
C22H29N3
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| Molecular Weight |
335.495
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| Canonical SMILES |
C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C22H29N3/c1-2-6-20(7-3-1)21-8-10-22(11-9-21)25-15-13-24(14-16-25)18-19-5-4-12-23-17-19/h1-7,12,17,21-22H,8-11,13-16,18H2/t21-,22+
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| InChIKey |
LKLASWHVKBTLFT-SZPZYZBQSA-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