General Information of the Compound
| Compound ID |
CP0479299
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| Compound Name |
CHEMBL4746237
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| Formula |
C23H31N3O
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| Molecular Weight |
365.521
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)cn1
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| InChI |
InChI=1S/C23H31N3O/c1-27-23-12-7-19(17-24-23)18-25-13-15-26(16-14-25)22-10-8-21(9-11-22)20-5-3-2-4-6-20/h2-7,12,17,21-22H,8-11,13-16,18H2,1H3/t21-,22+
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| InChIKey |
VOUCHUMQQGFYDV-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