General Information of the Compound
| Compound ID |
CP0140179
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| Compound Name |
CHEMBL4555254
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
CC(C)Cn1c(=O)[nH]c(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)c(O)c1=O
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| InChI |
InChI=1S/C21H27N3O4/c1-13(2)12-24-20(27)18(25)17(23-21(24)28)19(26)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-16,25H,8-12H2,1-2H3,(H,22,26)(H,23,28)/t15-,16+
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| InChIKey |
VBKQYPZEJLYVPT-IYBDPMFKSA-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