General Information of the Compound
| Compound ID |
CP0427444
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| Compound Name |
(2S)-8-amino-4-(3-methylbutyl)-2-(2-methylpropyl)-7-pentyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
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| Structure |
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| Formula |
C23H39N3O
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| Molecular Weight |
373.585
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| Canonical SMILES |
CCCCCc1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N
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| InChI |
InChI=1S/C23H39N3O/c1-6-7-8-9-18-13-19-15-26(11-10-16(2)3)23(27)22(12-17(4)5)25-21(19)14-20(18)24/h13-14,16-17,22,25H,6-12,15,24H2,1-5H3/t22-/m0/s1
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| InChIKey |
NIMUEDWUHURABC-QFIPXVFZSA-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