General Information of the Compound
| Compound ID |
CP0400021
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| Compound Name |
2-(4-acetylphenylamino)-3-(3-aminopropyl)-N,N-diisobutyl-3H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C27H37N5O2
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| Molecular Weight |
463.626
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| Canonical SMILES |
CC(C)CN(CC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN)c2c1
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| InChI |
InChI=1S/C27H37N5O2/c1-18(2)16-31(17-19(3)4)26(34)22-9-12-24-25(15-22)32(14-6-13-28)27(30-24)29-23-10-7-21(8-11-23)20(5)33/h7-12,15,18-19H,6,13-14,16-17,28H2,1-5H3,(H,29,30)
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| InChIKey |
HFCDCALJUCRELK-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