General Information of the Compound
| Compound ID |
CP0524541
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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-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)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/c1-23(2)19-30(43-37(50)51-38(7,8)9)35(48)41-26(6)34(47)42-29(21-27-13-11-10-12-14-27)31(45)20-25(5)33(46)44-32(24(3)4)36(49)40-22-28-15-17-39-18-16-28/h10-18,23-26,29-32,45H,19-22H2,1-9H3,(H,40,49)(H,41,48)(H,42,47)(H,43,50)(H,44,46)/t25-,26+,29+,30+,31+,32+/m1/s1
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| InChIKey |
HTMCNTJWNAFWCP-AURPNGQFSA-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