General Information of the Compound
| Compound ID |
CP0495037
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| Compound Name |
tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methoxy-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C37H56N6O8
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| Molecular Weight |
712.889
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| Canonical SMILES |
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C37H56N6O8/c1-23(2)31(35(48)39-22-27-14-17-38-18-15-27)43-32(45)24(3)20-30(44)29(21-26-12-10-9-11-13-26)41-33(46)25(4)40-34(47)28(16-19-50-8)42-36(49)51-37(5,6)7/h9-15,17-18,23-25,28-31,44H,16,19-22H2,1-8H3,(H,39,48)(H,40,47)(H,41,46)(H,42,49)(H,43,45)/t24-,25+,28+,29+,30+,31+/m1/s1
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| InChIKey |
CVHDRPLAZDJINN-CUTTXCQYSA-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