General Information of the Compound
| Compound ID |
CP0521961
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| Compound Name |
tert-butyl N-[(2S,3R)-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]-3-methyl-1-oxopentan-2-yl]carbamate
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| Structure |
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| Formula |
C38H58N6O7
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| Molecular Weight |
710.917
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| Canonical SMILES |
CC[C@@H](C)[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/C38H58N6O7/c1-10-24(4)32(44-37(50)51-38(7,8)9)36(49)41-26(6)34(47)42-29(21-27-14-12-11-13-15-27)30(45)20-25(5)33(46)43-31(23(2)3)35(48)40-22-28-16-18-39-19-17-28/h11-19,23-26,29-32,45H,10,20-22H2,1-9H3,(H,40,48)(H,41,49)(H,42,47)(H,43,46)(H,44,50)/t24-,25-,26+,29+,30+,31+,32+/m1/s1
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| InChIKey |
PACREYHQMKNGGT-VHBSSOFISA-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