General Information of the Compound
| Compound ID |
CP0001342
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| Compound Name |
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[3-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-2-oxopropyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
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| Structure |
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| Formula |
C43H64N6O9
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| Molecular Weight |
809.018
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C43H64N6O9/c1-27(2)19-34(46-40(53)36(21-29(5)6)48-42(55)57-25-31-15-11-9-12-16-31)38(51)44-23-33(50)24-45-39(52)35(20-28(3)4)47-41(54)37(22-30(7)8)49-43(56)58-26-32-17-13-10-14-18-32/h9-18,27-30,34-37H,19-26H2,1-8H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t34-,35-,36-,37-/m0/s1
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| InChIKey |
JTVCWQUNPMKMER-BQYLNSIHSA-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