General Information of the Compound
| Compound ID |
CP0060349
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| Compound Name |
(S)-8-amino-2-isobutyl-4-isopentyl-7-(2-methylprop-1-enyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-3(2H)-one
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| Structure |
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| Formula |
C22H35N3O
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| Molecular Weight |
357.542
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| Canonical SMILES |
CC(C)CCN1Cc2cc(C=C(C)C)c(N)cc2N[C@@H](CC(C)C)C1=O
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| InChI |
InChI=1S/C22H35N3O/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/h9,11-12,14,16,21,24H,7-8,10,13,23H2,1-6H3/t21-/m0/s1
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| InChIKey |
VELGTNXAZBFHRD-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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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