General Information of the Compound
| Compound ID |
CP0875845
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| Compound Name |
Sodium salt 2-[2-{2-[(2,6-dimethyl-piperidine-1-carbonyl)-amino]-4,4-dimethyl-pentanoylamino}-3-(1-methoxymethyl-1H-indol-3-yl)-propionylamino]-hexanoate
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| Structure |
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| Formula |
C34H52N5NaO6
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| Molecular Weight |
649.809
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| Canonical SMILES |
CCCC[C@@H](NC(=O)[C@@H](Cc1cn(COC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-].[Na+]
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| InChI |
InChI=1S/C34H53N5O6.Na/c1-8-9-16-26(32(42)43)35-30(40)27(18-24-20-38(21-45-7)29-17-11-10-15-25(24)29)36-31(41)28(19-34(4,5)6)37-33(44)39-22(2)13-12-14-23(39)3;/h10-11,15,17,20,22-23,26-28H,8-9,12-14,16,18-19,21H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t22-,23+,26-,27-,28+;/m1./s1
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| InChIKey |
QGYLYONGXFRLHV-XMCNMIOPSA-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