General Information of the Compound
| Compound ID |
CP0442455
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| Compound Name |
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide
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| Structure |
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| Formula |
C32H53N11O9
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| Molecular Weight |
735.844
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
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| InChI |
InChI=1S/C32H53N11O9/c1-5-18(4)26(42-30(49)24(13-17(2)3)41-28(47)21(33)16-44)31(50)38-15-25(45)39-22(7-6-12-37-32(35)36)29(48)40-23(27(34)46)14-19-8-10-20(11-9-19)43(51)52/h8-11,17-18,21-24,26,44H,5-7,12-16,33H2,1-4H3,(H2,34,46)(H,38,50)(H,39,45)(H,40,48)(H,41,47)(H,42,49)(H4,35,36,37)/t18-,21-,22-,23-,24-,26-/m0/s1
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| InChIKey |
JADMDVDOSPTJRL-ROWCBPRQSA-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