General Information of the Compound
| Compound ID |
CP0530008
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| Compound Name |
CHEMBL3360662
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
Cc1ccccc1-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1
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| InChI |
InChI=1S/C25H27N3O2/c1-17-7-5-6-10-21(17)23-15-22(19-8-3-2-4-9-19)27-25(28-23)26-16-18-11-13-20(14-12-18)24(29)30/h2-10,15,18,20H,11-14,16H2,1H3,(H,29,30)(H,26,27,28)/t18-,20-
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| InChIKey |
VGQOJPXWWDLHKT-KESTWPANSA-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