General Information of the Compound
| Compound ID |
CP0969443
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| Compound Name |
(1R,3S)-3-(6-Dimethylamino-hexanoylamino)-cyclopentanecarboxylic acid N-(4-benzooxazol-2-yl-phenyl)-N-methylamide
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| Structure |
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| Formula |
C28H37N5O3
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| Molecular Weight |
491.636
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| Canonical SMILES |
CN(C)CCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1
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| InChI |
InChI=1S/C28H37N5O3/c1-32(2)18-8-4-7-17-29-28(35)30-22-14-11-21(19-22)27(34)33(3)23-15-12-20(13-16-23)26-31-24-9-5-6-10-25(24)36-26/h5-6,9-10,12-13,15-16,21-22H,4,7-8,11,14,17-19H2,1-3H3,(H2,29,30,35)/t21-,22+/m1/s1
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| InChIKey |
NQMSCMXZUAGEGE-YADHBBJMSA-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