General Information of the Compound
| Compound ID |
CP0199295
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| Compound Name |
4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)cubyl-1-carboxamide
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| Structure |
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| Formula |
C27H29IN4O2
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| Molecular Weight |
568.459
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1
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| InChI |
InChI=1S/C27H29IN4O2/c1-34-17-7-3-2-6-16(17)31-13-10-30(11-14-31)12-15-32(18-8-4-5-9-29-18)25(33)26-19-22-20(26)24-21(26)23(19)27(22,24)28/h2-9,19-24H,10-15H2,1H3
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| InChIKey |
YTOGOMGUCNEXIR-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