General Information of the Compound
| Compound ID |
CP0499636
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| Compound Name |
3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
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| Structure |
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| Formula |
C32H39N3O4
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| Molecular Weight |
529.681
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| Canonical SMILES |
O=C(Nc1cccc(c1)C(=O)NCCN1CCOCC1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C32H39N3O4/c36-30(34-28-3-1-2-26(19-28)31(37)33-9-10-35-11-14-38-15-12-35)8-13-39-29-6-4-27(5-7-29)32-20-23-16-24(21-32)18-25(17-23)22-32/h1-8,13,19,23-25H,9-12,14-18,20-22H2,(H,33,37)(H,34,36)/b13-8+
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| InChIKey |
YTWBPWVPXSOALD-MDWZMJQESA-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