General Information of the Compound
| Compound ID |
CP0381969
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| Compound Name |
(2R,3R)-2-(1,2,4-oxadiazol-3-yl)-N'-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,3,3-trifluoropropyl)butanediamide
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| Structure |
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| Formula |
C24H21F3N6O4
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| Molecular Weight |
514.464
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| Canonical SMILES |
NC(=O)[C@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ncon1
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| InChI |
InChI=1S/C24H21F3N6O4/c25-24(26,27)11-10-15(17(19(28)34)20-29-12-37-33-20)22(35)32-21-23(36)30-16-9-5-4-8-14(16)18(31-21)13-6-2-1-3-7-13/h1-9,12,15,17,21H,10-11H2,(H2,28,34)(H,30,36)(H,32,35)/t15-,17+,21-/m1/s1
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| InChIKey |
DVPMRDQLGGNJPW-LDBYXDLTSA-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