General Information of the Compound
| Compound ID |
CP0485176
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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]-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C36H54N6O7
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| Molecular Weight |
682.863
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| Canonical SMILES |
CC[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/C36H54N6O7/c1-9-27(41-35(48)49-36(6,7)8)33(46)39-24(5)32(45)40-28(20-25-13-11-10-12-14-25)29(43)19-23(4)31(44)42-30(22(2)3)34(47)38-21-26-15-17-37-18-16-26/h10-18,22-24,27-30,43H,9,19-21H2,1-8H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,44)/t23-,24+,27+,28+,29+,30+/m1/s1
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| InChIKey |
LYIXMNCFLQPSMJ-JAYDILGYSA-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