General Information of the Compound
| Compound ID |
CP0505621
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| Compound Name |
2-[4-[3-benzyl-5-(cyclohexylmethyl)-2-oxo-1,3,4-benzotriazepin-1-yl]phenyl]guanidine
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| Structure |
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| Formula |
C29H32N6O
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| Molecular Weight |
480.616
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| Canonical SMILES |
NC(=N)Nc1ccc(cc1)N1c2ccccc2C(CC2CCCCC2)=NN(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C29H32N6O/c30-28(31)32-23-15-17-24(18-16-23)35-27-14-8-7-13-25(27)26(19-21-9-3-1-4-10-21)33-34(29(35)36)20-22-11-5-2-6-12-22/h2,5-8,11-18,21H,1,3-4,9-10,19-20H2,(H4,30,31,32)
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| InChIKey |
WWMSLCULYOVWHB-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