General Information of the Compound
| Compound ID |
CP0146918
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
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| Structure |
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| Formula |
C37H72N14O7
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| Molecular Weight |
825.074
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| Canonical SMILES |
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
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| InChI |
InChI=1S/C37H72N14O7/c1-20(2)18-27(46-23(7)52)33(56)50-28(19-21(3)4)34(57)48-26(14-11-17-45-37(42)43)32(55)51-29(22(5)6)35(58)49-25(12-8-9-15-38)31(54)47-24(30(39)53)13-10-16-44-36(40)41/h20-22,24-29H,8-19,38H2,1-7H3,(H2,39,53)(H,46,52)(H,47,54)(H,48,57)(H,49,58)(H,50,56)(H,51,55)(H4,40,41,44)(H4,42,43,45)/t24-,25-,26-,27-,28-,29-/m0/s1
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| InChIKey |
AAYRDVQZUZFTDJ-AQRCPPRCSA-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