General Information of the Compound
| Compound ID |
CP0391712
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| Compound Name |
N-[(2S)-1-[[(1S)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
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| Structure |
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| Formula |
C21H32N4O4
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| Molecular Weight |
404.511
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| Canonical SMILES |
NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1
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| InChI |
InChI=1S/C21H32N4O4/c22-19(26)18(15-9-5-2-6-10-15)25-20(27)16(13-14-7-3-1-4-8-14)24-21(28)17-11-12-23-29-17/h11-12,14-16,18H,1-10,13H2,(H2,22,26)(H,24,28)(H,25,27)/t16-,18-/m0/s1
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| InChIKey |
CAYJNBJPGBBDAS-WMZOPIPTSA-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
Protein ID: PT04124, Proteinase-activated receptor 2