General Information of the Compound
| Compound ID |
CP0444155
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| Compound Name |
3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]-N-(3-imidazol-1-ylpropyl)benzamide
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| Structure |
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| Formula |
C32H36N4O3
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| Molecular Weight |
524.665
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| Canonical SMILES |
O=C(Nc1cccc(c1)C(=O)NCCCn1ccnc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C32H36N4O3/c37-30(35-28-4-1-3-26(18-28)31(38)34-10-2-12-36-13-11-33-22-36)9-14-39-29-7-5-27(6-8-29)32-19-23-15-24(20-32)17-25(16-23)21-32/h1,3-9,11,13-14,18,22-25H,2,10,12,15-17,19-21H2,(H,34,38)(H,35,37)/b14-9+
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| InChIKey |
REVOOSSMVULSTB-NTEUORMPSA-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