General Information of the Compound
| Compound ID |
CP0458591
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| Compound Name |
sodium;(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-2-yl)propanoyl]amino]hexanoate
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| Structure |
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| Formula |
C34H50N5NaO7
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| Molecular Weight |
663.792
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| Canonical SMILES |
[Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cc2ccccc2n1C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O
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| InChI |
InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(19-24-18-23-15-10-11-17-28(23)39(24)33(45)46-7)36-30(41)27(20-34(4,5)6)37-32(44)38-21(2)13-12-14-22(38)3;/h10-11,15,17-18,21-22,25-27H,8-9,12-14,16,19-20H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1
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| InChIKey |
VZGFFFZTTFIUMI-FUKQNADPSA-M
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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