General Information of the Compound
| Compound ID |
CP0507781
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| Compound Name |
2-[4-(3-benzyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butyl]guanidine
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| Structure |
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| Formula |
C27H29N5O
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| Molecular Weight |
439.563
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| Canonical SMILES |
NC(=N)NCCCCN1c2ccccc2C(=NC(Cc2ccccc2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C27H29N5O/c28-27(29)30-17-9-10-18-32-24-16-8-7-15-22(24)25(21-13-5-2-6-14-21)31-23(26(32)33)19-20-11-3-1-4-12-20/h1-8,11-16,23H,9-10,17-19H2,(H4,28,29,30)
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| InChIKey |
MKHOQLFGKJSOSQ-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