General Information of the Compound
| Compound ID |
CP0484541
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| Compound Name |
tert-butyl N-[(2S)-4,4-difluoro-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 |
C36H52F2N6O7
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| Molecular Weight |
718.843
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C36H52F2N6O7/c1-21(2)30(34(49)40-20-25-13-15-39-16-14-25)44-31(46)22(3)17-28(45)26(18-24-11-9-8-10-12-24)42-32(47)23(4)41-33(48)27(19-29(37)38)43-35(50)51-36(5,6)7/h8-16,21-23,26-30,45H,17-20H2,1-7H3,(H,40,49)(H,41,48)(H,42,47)(H,43,50)(H,44,46)/t22-,23+,26+,27+,28+,30+/m1/s1
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| InChIKey |
CLLUELOOOLMHGM-ZXSVIEFPSA-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