General Information of the Compound
| Compound ID |
CP0491051
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| Compound Name |
(2S)-7-but-1-en-2-yl-4-(3-methylbutyl)-2-(2-methylpropyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-one
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| Structure |
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| Formula |
C22H34N2O
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| Molecular Weight |
342.527
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| Canonical SMILES |
CCC(=C)c1ccc2N[C@@H](CC(C)C)C(=O)N(CCC(C)C)Cc2c1
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| InChI |
InChI=1S/C22H34N2O/c1-7-17(6)18-8-9-20-19(13-18)14-24(11-10-15(2)3)22(25)21(23-20)12-16(4)5/h8-9,13,15-16,21,23H,6-7,10-12,14H2,1-5H3/t21-/m0/s1
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| InChIKey |
CHIKCKQSVQEQOY-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