General Information of the Compound
| Compound ID |
CP0536640
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| Compound Name |
CHEMBL3360660
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| Formula |
C20H25N3O3
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| Molecular Weight |
355.438
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1
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| InChI |
InChI=1S/C20H25N3O3/c1-13-11-18(15-7-9-17(26-2)10-8-15)23-20(22-13)21-12-14-3-5-16(6-4-14)19(24)25/h7-11,14,16H,3-6,12H2,1-2H3,(H,24,25)(H,21,22,23)/t14-,16-
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| InChIKey |
CZMMPGBVMDDMTK-KOMQPUFPSA-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