General Information of the Compound
| Compound ID |
CP0404024
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| Compound Name |
CHEMBL2414679
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| Formula |
C21H23N3O5
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| Molecular Weight |
397.431
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2nc[nH]c(=O)c2C1=O
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| InChI |
InChI=1S/C21H23N3O5/c25-17(26)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)24-9-10-29-20-18(21(24)28)19(27)22-12-23-20/h5-8,12-14H,1-4,9-11H2,(H,25,26)(H,22,23,27)/t13-,14-
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| InChIKey |
OLFUJHSJGGHZHG-HDJSIYSDSA-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