General Information of the Compound
| Compound ID |
CP0532496
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| Compound Name |
4-[2-[(1S,2S)-1-amino-2-hydroxypropyl]-3H-benzimidazol-5-yl]benzonitrile
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| Structure |
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| Formula |
C17H16N4O
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| Molecular Weight |
292.342
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| Canonical SMILES |
C[C@H](O)[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C17H16N4O/c1-10(22)16(19)17-20-14-7-6-13(8-15(14)21-17)12-4-2-11(9-18)3-5-12/h2-8,10,16,22H,19H2,1H3,(H,20,21)/t10-,16+/m0/s1
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| InChIKey |
PSRFEOWGUNBMQL-MGPLVRAMSA-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