General Information of the Compound
| Compound ID |
CP0401795
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| Compound Name |
tert-butyl N-[(2S)-1-[[1-(8-hydroxyoctylamino)-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(Cc1ccccc1)C(=O)NCCCCCCCCO
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| InChI |
InChI=1S/C31H45N3O5/c1-31(2,3)39-30(38)34-27(23-25-18-12-9-13-19-25)29(37)33-26(22-24-16-10-8-11-17-24)28(36)32-20-14-6-4-5-7-15-21-35/h8-13,16-19,26-27,35H,4-7,14-15,20-23H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)/t26?,27-/m0/s1
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| InChIKey |
XMBAFFJJGBPLRT-GEVKEYJPSA-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