General Information of the Compound
| Compound ID |
CP0377447
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| Compound Name |
N-[4-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]-4-oxobutyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
NC(NC(=O)CCCNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C20H25N7O2/c21-20(24-10-3-6-15-12-22-13-25-15)27-18(28)8-4-9-23-19(29)17-11-14-5-1-2-7-16(14)26-17/h1-2,5,7,11-13,26H,3-4,6,8-10H2,(H,22,25)(H,23,29)(H3,21,24,27,28)
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| InChIKey |
MMZFKVNBNHUWDT-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