General Information of the Compound
| Compound ID |
CP0386689
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| Compound Name |
2-Furoyl-Cha-Ile-NH2
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| Structure |
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| Formula |
C20H31N3O4
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| Molecular Weight |
377.485
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)C(N)=O
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| InChI |
InChI=1S/C20H31N3O4/c1-3-13(2)17(18(21)24)23-19(25)15(12-14-8-5-4-6-9-14)22-20(26)16-10-7-11-27-16/h7,10-11,13-15,17H,3-6,8-9,12H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t13-,15-,17-/m0/s1
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| InChIKey |
UBLABFFFYMMDQE-QRTARXTBSA-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