General Information of the Compound
| Compound ID |
CP0480596
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| Compound Name |
(2R,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-(3-methylsulfonylphenyl)-3-(3,3,3-trifluoropropyl)butanediamide
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| Structure |
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| Formula |
C30H29F3N4O5S
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| Molecular Weight |
614.646
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| Canonical SMILES |
CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)S(C)(=O)=O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C30H29F3N4O5S/c1-37-23-14-7-6-13-21(23)25(18-9-4-3-5-10-18)35-27(29(37)40)36-28(39)22(15-16-30(31,32)33)24(26(34)38)19-11-8-12-20(17-19)43(2,41)42/h3-14,17,22,24,27H,15-16H2,1-2H3,(H2,34,38)(H,36,39)/t22-,24+,27-/m1/s1
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| InChIKey |
HXCKIUGDVKDKET-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