General Information of the Compound
| Compound ID |
CP0410726
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| Compound Name |
2-Biphenyl-4-yl-N-[4-guanidino-1-(1,3,4,5-tetrahydro-benzo[c]azepine-2-carbonyl)-butyl]-acetamide
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| Structure |
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| Formula |
C30H35N5O2
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| Molecular Weight |
497.643
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C30H35N5O2/c31-30(32)33-18-6-13-27(29(37)35-19-7-12-24-10-4-5-11-26(24)21-35)34-28(36)20-22-14-16-25(17-15-22)23-8-2-1-3-9-23/h1-5,8-11,14-17,27H,6-7,12-13,18-21H2,(H,34,36)(H4,31,32,33)
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| InChIKey |
OIGFCGJPRIEMEC-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