General Information of the Compound
| Compound ID |
CP0388957
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| Compound Name |
N-(2,2-dimethylpropyl)-9-pentylpyrido[3,4-b]indole-3-carboxamide
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| Structure |
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| Formula |
C22H29N3O
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| Molecular Weight |
351.494
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| Canonical SMILES |
CCCCCn1c2ccccc2c2cc(ncc12)C(=O)NCC(C)(C)C
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| InChI |
InChI=1S/C22H29N3O/c1-5-6-9-12-25-19-11-8-7-10-16(19)17-13-18(23-14-20(17)25)21(26)24-15-22(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,26)
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| InChIKey |
JSXJBGNWNNYUBU-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