General Information of the Compound
| Compound ID |
CP0530257
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| Compound Name |
2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-(4-acetamidobutyl)carbamate
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| Structure |
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| Formula |
C23H36N8O5
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| Molecular Weight |
504.592
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| Canonical SMILES |
CC(=O)NCCCCNC(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C23H36N8O5/c1-17(32)25-11-7-8-12-26-22(34)36-14-13-31-20(28-29-30-31)19(27-21(33)23(2,3)24)16-35-15-18-9-5-4-6-10-18/h4-6,9-10,19H,7-8,11-16,24H2,1-3H3,(H,25,32)(H,26,34)(H,27,33)/t19-/m1/s1
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| InChIKey |
OBOLPKMJYZNIHK-LJQANCHMSA-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