General Information of the Compound
| Compound ID |
CP0457910
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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]cyclohexanecarboxamide
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| Structure |
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| Formula |
C39H72N10O7
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| Molecular Weight |
793.068
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C1CCCCC1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C39H72N10O7/c1-9-24(7)31(33(40)51)48-36(54)29(20-23(5)6)47-35(53)27(17-14-18-43-39(41)42)45-30(50)21-44-38(56)32(25(8)10-2)49-37(55)28(19-22(3)4)46-34(52)26-15-12-11-13-16-26/h22-29,31-32H,9-21H2,1-8H3,(H2,40,51)(H,44,56)(H,45,50)(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H4,41,42,43)/t24-,25-,27-,28-,29-,31-,32-/m0/s1
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| InChIKey |
RMRHXWOEFORNSW-DKGYAYDXSA-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