General Information of the Compound
| Compound ID |
CP0510019
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| Compound Name |
(S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-pentanoylamino]-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide
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| Structure |
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| Formula |
C34H51N5O6
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| Molecular Weight |
625.811
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| Canonical SMILES |
CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C34H51N5O6/c1-7-11-26(37-34(45)30(41)22(4)5)32(43)38-27(19-24-12-9-8-10-13-24)28(40)18-23(6)31(42)39-29(21(2)3)33(44)36-20-25-14-16-35-17-15-25/h8-10,12-17,21-23,26-30,40-41H,7,11,18-20H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)(H,39,42)/t23-,26+,27+,28+,29+,30+/m1/s1
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| InChIKey |
HXMNPANFRYQTBX-XMGYLCLZSA-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