General Information of the Compound
| Compound ID |
CP0476836
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| Compound Name |
(2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-pentan-3-ylbutanediamide
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| Structure |
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| Formula |
C29H38N4O3
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| Molecular Weight |
490.648
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| Canonical SMILES |
CCC(CC)[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
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| InChI |
InChI=1S/C29H38N4O3/c1-6-19(7-2)24(26(30)34)22(17-18(3)4)28(35)32-27-29(36)33(5)23-16-12-11-15-21(23)25(31-27)20-13-9-8-10-14-20/h8-16,18-19,22,24,27H,6-7,17H2,1-5H3,(H2,30,34)(H,32,35)/t22-,24+,27-/m1/s1
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| InChIKey |
QOSWTKQCJJCHLE-RWCIVJTCSA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT04261, Neurogenic locus notch homolog protein 3