General Information of the Compound
| Compound ID |
CP0444156
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| Compound Name |
3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]-N-(2-pyridin-4-ylethyl)benzamide
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| Structure |
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| Formula |
C33H35N3O3
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| Molecular Weight |
521.661
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| Canonical SMILES |
O=C(Nc1cccc(c1)C(=O)NCCc1ccncc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C33H35N3O3/c37-31(36-29-3-1-2-27(19-29)32(38)35-14-10-23-8-12-34-13-9-23)11-15-39-30-6-4-28(5-7-30)33-20-24-16-25(21-33)18-26(17-24)22-33/h1-9,11-13,15,19,24-26H,10,14,16-18,20-22H2,(H,35,38)(H,36,37)/b15-11+
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| InChIKey |
FXQRGQIYHBKGGP-RVDMUPIBSA-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