General Information of the Compound
| Compound ID |
CP0493966
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| Compound Name |
tert-butyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
CN(C(Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C24H31N3O4/c1-24(2,3)31-23(30)26-19(15-17-11-7-5-8-12-17)22(29)27(4)20(21(25)28)16-18-13-9-6-10-14-18/h5-14,19-20H,15-16H2,1-4H3,(H2,25,28)(H,26,30)/t19-,20?/m0/s1
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| InChIKey |
DABGQNDZZXUUFS-XJDOXCRVSA-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