General Information of the Compound
| Compound ID |
CP0450606
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| Compound Name |
4-[4-[3-(naphthalene-2-carbonylamino)propylcarbamoyl]phenoxy]adamantane-1-carboxylic acid
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| Structure |
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| Formula |
C32H34N2O5
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| Molecular Weight |
526.633
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| Canonical SMILES |
OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCCNC(=O)c1ccc4ccccc4c1)C(C3)C2
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| InChI |
InChI=1S/C32H34N2O5/c35-29(33-12-3-13-34-30(36)24-7-6-21-4-1-2-5-23(21)16-24)22-8-10-27(11-9-22)39-28-25-14-20-15-26(28)19-32(17-20,18-25)31(37)38/h1-2,4-11,16,20,25-26,28H,3,12-15,17-19H2,(H,33,35)(H,34,36)(H,37,38)
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| InChIKey |
KVOLTTSEPIQEQN-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