General Information of the Compound
| Compound ID |
CP0146153
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| Compound Name |
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C18H23N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
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| InChIKey |
SOFNUHHKAHJEAL-INIZCTEOSA-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: PT00974, Cathepsin B
Protein ID: PT01006, Cathepsin S
Protein ID: PT00830, Procathepsin L