General Information of the Compound
| Compound ID |
CP0442451
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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]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C41H66N10O7S
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| Molecular Weight |
843.109
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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)c1cc2ccccc2s1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C41H66N10O7S/c1-9-24(7)33(35(42)53)50-37(55)28(18-22(3)4)48-36(54)27(15-13-17-45-41(43)44)47-32(52)21-46-40(58)34(25(8)10-2)51-38(56)29(19-23(5)6)49-39(57)31-20-26-14-11-12-16-30(26)59-31/h11-12,14,16,20,22-25,27-29,33-34H,9-10,13,15,17-19,21H2,1-8H3,(H2,42,53)(H,46,58)(H,47,52)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,43,44,45)/t24-,25-,27-,28-,29-,33-,34-/m0/s1
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| InChIKey |
KRZOJYXLFVJWEZ-RARZTAELSA-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