General Information of the Compound
| Compound ID |
CP0553561
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| Compound Name |
(3R)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)propanamide
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| Structure |
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| Formula |
C14H20N4O
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| Molecular Weight |
260.341
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| Canonical SMILES |
CC(C)(C)c1ccc2[nH]c(nc2c1)[C@H](N)CC(N)=O
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| InChI |
InChI=1S/C14H20N4O/c1-14(2,3)8-4-5-10-11(6-8)18-13(17-10)9(15)7-12(16)19/h4-6,9H,7,15H2,1-3H3,(H2,16,19)(H,17,18)/t9-/m1/s1
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| InChIKey |
BNVAWQMOOOUVEF-SECBINFHSA-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