General Information of the Compound
| Compound ID |
CP0383289
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| Compound Name |
tert-butyl N-[(2S)-1-[[1-[(4-hydroxyphenyl)methylamino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C31H37N3O5
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| Molecular Weight |
531.653
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C31H37N3O5/c1-30(2,3)39-29(38)33-26(19-22-11-7-5-8-12-22)27(36)34-31(4,20-23-13-9-6-10-14-23)28(37)32-21-24-15-17-25(35)18-16-24/h5-18,26,35H,19-21H2,1-4H3,(H,32,37)(H,33,38)(H,34,36)/t26-,31?/m0/s1
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| InChIKey |
VVHBILFZMWHTKX-PAMMARIWSA-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