General Information of the Compound
| Compound ID |
CP0495654
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| Compound Name |
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-phenylbutanoyl]amino]-3-methylpentanamide
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| Structure |
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| Formula |
C39H67N11O8
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| Molecular Weight |
818.034
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C39H67N11O8/c1-7-23(5)31(33(41)53)49-36(56)28(17-16-25-13-10-9-11-14-25)47-35(55)27(15-12-18-44-39(42)43)46-30(52)20-45-38(58)32(24(6)8-2)50-37(57)29(19-22(3)4)48-34(54)26(40)21-51/h9-11,13-14,22-24,26-29,31-32,51H,7-8,12,15-21,40H2,1-6H3,(H2,41,53)(H,45,58)(H,46,52)(H,47,55)(H,48,54)(H,49,56)(H,50,57)(H4,42,43,44)/t23-,24-,26-,27-,28-,29-,31-,32-/m0/s1
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| InChIKey |
NORSKROCBGKUIW-NZUJPQRWSA-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