General Information of the Compound
| Compound ID |
CP0073903
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| Compound Name |
8-amino-2,7-diisobutyl-4-isopentyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-3(2H)-one
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| Structure |
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| Formula |
C22H37N3O
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| Molecular Weight |
359.558
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| Canonical SMILES |
CC(C)CCN1Cc2cc(CC(C)C)c(N)cc2N[C@@H](CC(C)C)C1=O
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| InChI |
InChI=1S/C22H37N3O/c1-14(2)7-8-25-13-18-11-17(9-15(3)4)19(23)12-20(18)24-21(22(25)26)10-16(5)6/h11-12,14-16,21,24H,7-10,13,23H2,1-6H3/t21-/m0/s1
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| InChIKey |
DAWHMMINFGNTOI-NRFANRHFSA-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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