General Information of the Compound
| Compound ID |
CP0509399
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| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methyl-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C37H65N11O8
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| Molecular Weight |
791.996
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1coc(C)n1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C37H65N11O8/c1-10-21(7)29(31(38)50)47-33(52)25(15-19(3)4)45-32(51)24(13-12-14-41-37(39)40)44-28(49)17-42-36(55)30(22(8)11-2)48-34(53)26(16-20(5)6)46-35(54)27-18-56-23(9)43-27/h18-22,24-26,29-30H,10-17H2,1-9H3,(H2,38,50)(H,42,55)(H,44,49)(H,45,51)(H,46,54)(H,47,52)(H,48,53)(H4,39,40,41)/t21-,22-,24-,25-,26-,29-,30-/m0/s1
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| InChIKey |
VJIFOPPNKIYSRI-VVDNQCRQSA-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