General Information of the Compound
| Compound ID |
CP0517007
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| Compound Name |
CHEMBL2338246
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
Cc1cccc(c1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O
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| InChI |
InChI=1S/C26H33N3O2/c1-16-5-4-6-20(9-16)29-23-21(15-27-29)24(30)28(8-7-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-6,9,15,17-19,22,31H,7-8,10-14H2,1-3H3/t17?,18?,19?,22-,26+
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| InChIKey |
GDPNNZFTLYUMTF-FBHLNTBOSA-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