General Information of the Compound
| Compound ID |
CP0491053
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| Compound Name |
4-[(2S)-8-amino-4-(3-methylbutyl)-2-(2-methylpropyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-7-yl]benzoic acid
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CC(C)CCN1Cc2cc(c(N)cc2N[C@@H](CC(C)C)C1=O)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H33N3O3/c1-15(2)9-10-28-14-19-12-20(17-5-7-18(8-6-17)25(30)31)21(26)13-22(19)27-23(24(28)29)11-16(3)4/h5-8,12-13,15-16,23,27H,9-11,14,26H2,1-4H3,(H,30,31)/t23-/m0/s1
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| InChIKey |
YZDCAYMXSJPCAP-QHCPKHFHSA-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