General Information of the Compound
| Compound ID |
CP0532671
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| Compound Name |
tert-butyl N-[(2S)-1-[[1-(7-hydroxyheptylamino)-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 |
C31H45N3O5
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| Molecular Weight |
539.717
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCO
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| InChI |
InChI=1S/C31H45N3O5/c1-30(2,3)39-29(38)33-26(22-24-16-10-8-11-17-24)27(36)34-31(4,23-25-18-12-9-13-19-25)28(37)32-20-14-6-5-7-15-21-35/h8-13,16-19,26,35H,5-7,14-15,20-23H2,1-4H3,(H,32,37)(H,33,38)(H,34,36)/t26-,31?/m0/s1
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| InChIKey |
XFGBWRHTRJIBMS-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