General Information of the Compound
| Compound ID |
CP0537601
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| Compound Name |
N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-yl]-2,2-diphenylacetamide
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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)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C30H35N5O2/c31-30(32)33-19-9-18-26(29(37)35-20-10-17-22-11-7-8-16-25(22)21-35)34-28(36)27(23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-8,11-16,26-27H,9-10,17-21H2,(H,34,36)(H4,31,32,33)
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| InChIKey |
XARICALEJWBUDM-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