General Information of the Compound
| Compound ID |
CP0541636
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| Compound Name |
(S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C18H27N3O4
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| Molecular Weight |
349.431
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(O)=O
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| InChI |
InChI=1S/C18H27N3O4/c1-11(2)9-15(18(24)25)21-17(23)14(20-16(22)12(3)19)10-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10,19H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t12-,14-,15-/m0/s1
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| InChIKey |
ZBLQIYPCUWZSRZ-QEJZJMRPSA-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