General Information of the Compound
| Compound ID |
CP0534657
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| Compound Name |
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
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| Structure |
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| Formula |
C27H34N4O
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| Molecular Weight |
430.596
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| Canonical SMILES |
CN([C@@H]1CCN(C1)C1CCCCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12
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| InChI |
InChI=1S/C27H34N4O/c1-20-28-25-11-7-8-12-26(25)31(20)23-15-13-21(14-16-23)27(32)29(2)24-17-18-30(19-24)22-9-5-3-4-6-10-22/h7-8,11-16,22,24H,3-6,9-10,17-19H2,1-2H3/t24-/m1/s1
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| InChIKey |
JTSPMARFSWFYCR-XMMPIXPASA-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