General Information of the Compound
| Compound ID |
CP0496639
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| Compound Name |
tert-butyl N-[(2S)-6,6,6-trifluoro-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-oxohexan-2-yl]carbamate
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| Structure |
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| Formula |
C38H55F3N6O7
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| Molecular Weight |
764.887
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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](CCCC(F)(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C38H55F3N6O7/c1-23(2)31(35(52)43-22-27-15-18-42-19-16-27)47-32(49)24(3)20-30(48)29(21-26-12-9-8-10-13-26)45-33(50)25(4)44-34(51)28(14-11-17-38(39,40)41)46-36(53)54-37(5,6)7/h8-10,12-13,15-16,18-19,23-25,28-31,48H,11,14,17,20-22H2,1-7H3,(H,43,52)(H,44,51)(H,45,50)(H,46,53)(H,47,49)/t24-,25+,28+,29+,30+,31+/m1/s1
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| InChIKey |
CAQLXINYFRLRAG-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