General Information of the Compound
| Compound ID |
CP0442502
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| Compound Name |
2-(4-hydroxybenzyl)-N-(4-aminobutyl)-N-isopropyl-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
CC(C)N(CCCCN)C(=O)c1c(Cc2ccc(O)cc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C23H29N3O2/c1-16(2)26(14-6-5-13-24)23(28)22-19-7-3-4-8-20(19)25-21(22)15-17-9-11-18(27)12-10-17/h3-4,7-12,16,25,27H,5-6,13-15,24H2,1-2H3
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| InChIKey |
KXVAWUJBOPKCRZ-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