General Information of the Compound
| Compound ID |
CP0509440
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| Compound Name |
(S)-2-Amino-3-[(R)-1-(1-imino-ethyl)-pyrrolidin-3-yl]-propionic acid
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| Structure |
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| Formula |
C9H17N3O2
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| Molecular Weight |
199.254
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| Canonical SMILES |
CC(=N)N1CC[C@H](C[C@H](N)C(O)=O)C1
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| InChI |
InChI=1S/C9H17N3O2/c1-6(10)12-3-2-7(5-12)4-8(11)9(13)14/h7-8,10H,2-5,11H2,1H3,(H,13,14)/t7-,8+/m1/s1
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| InChIKey |
VWIKYYSVWWGXTK-SFYZADRCSA-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