General Information of the Compound
| Compound ID |
CP0382606
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| Compound Name |
(3S)-3-(6-tert-butyl-1H-benzimidazol-2-yl)-3-(methylamino)propanamide
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| Structure |
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| Formula |
C15H22N4O
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| Molecular Weight |
274.368
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| Canonical SMILES |
CN[C@@H](CC(N)=O)c1nc2cc(ccc2[nH]1)C(C)(C)C
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| InChI |
InChI=1S/C15H22N4O/c1-15(2,3)9-5-6-10-11(7-9)19-14(18-10)12(17-4)8-13(16)20/h5-7,12,17H,8H2,1-4H3,(H2,16,20)(H,18,19)/t12-/m0/s1
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| InChIKey |
WEXZHUVMIBMOLU-LBPRGKRZSA-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