General Information of the Compound
| Compound ID |
CP0501692
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| Compound Name |
2-bicyclo[2.2.1]heptanyl 5-(4-acetamidobutylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
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| Structure |
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| Formula |
C21H31N3O4
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| Molecular Weight |
389.496
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| Canonical SMILES |
CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C
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| InChI |
InChI=1S/C21H31N3O4/c1-12-18(21(27)28-17-11-15-6-7-16(17)10-15)13(2)24-19(12)20(26)23-9-5-4-8-22-14(3)25/h15-17,24H,4-11H2,1-3H3,(H,22,25)(H,23,26)
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| InChIKey |
YUCQEDZULBKWMG-UHFFFAOYSA-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