General Information of the Compound
| Compound ID |
CP0223899
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| Compound Name |
(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
CN(C(=O)[C@@H]1CC[C@@H](C1)NC(C)=O)c1ccc(cc1)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C22H24N4O2/c1-14(27)23-17-10-7-16(13-17)22(28)26(2)18-11-8-15(9-12-18)21-24-19-5-3-4-6-20(19)25-21/h3-6,8-9,11-12,16-17H,7,10,13H2,1-2H3,(H,23,27)(H,24,25)/t16-,17+/m1/s1
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| InChIKey |
STBXNCZYNRFWFR-SJORKVTESA-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