General Information of the Compound
| Compound ID |
CP0218352
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| Compound Name |
3-[1-[4-(3-methylindol-1-yl)butyl]triazol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
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| Formula |
C29H36N6O
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| Molecular Weight |
484.648
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| Canonical SMILES |
Cc1cn(CCCCn2cc(nn2)-c2cccc(c2)C(=O)NCCCN2CCCC2)c2ccccc12
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| InChI |
InChI=1S/C29H36N6O/c1-23-21-34(28-13-3-2-12-26(23)28)18-6-7-19-35-22-27(31-32-35)24-10-8-11-25(20-24)29(36)30-14-9-17-33-15-4-5-16-33/h2-3,8,10-13,20-22H,4-7,9,14-19H2,1H3,(H,30,36)
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| InChIKey |
DAHJAYUIGZRKJP-UHFFFAOYSA-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