General Information of the Compound
| Compound ID |
CP0393181
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| Compound Name |
(S)-2-{2-[((S)-1-{(S)-2-[(S)-2-Amino-3-(4-phosphonooxy-phenyl)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carbonyl)-amino]-hexanoylamino}-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C31H50N5O10P
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| Molecular Weight |
683.74
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C31H50N5O10P/c1-6-7-9-23(28(38)34-24(31(41)42)16-18(2)3)33-29(39)25-10-8-15-36(25)30(40)26(19(4)5)35-27(37)22(32)17-20-11-13-21(14-12-20)46-47(43,44)45/h11-14,18-19,22-26H,6-10,15-17,32H2,1-5H3,(H,33,39)(H,34,38)(H,35,37)(H,41,42)(H2,43,44,45)/t22-,23-,24-,25-,26-/m0/s1
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| InChIKey |
SYJPVTDWLQWICP-LROMGURASA-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