General Information of the Compound
| Compound ID |
CP0526352
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| Compound Name |
5-Isoxazoyl-Cha-Ile-NH2
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| Structure |
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| Formula |
C19H30N4O4
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| Molecular Weight |
378.473
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(N)=O
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| InChI |
InChI=1S/C19H30N4O4/c1-3-12(2)16(17(20)24)23-18(25)14(11-13-7-5-4-6-8-13)22-19(26)15-9-10-21-27-15/h9-10,12-14,16H,3-8,11H2,1-2H3,(H2,20,24)(H,22,26)(H,23,25)/t12-,14-,16-/m0/s1
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| InChIKey |
SHJOTAYYSOIKMD-NOLJZWGESA-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