General Information of the Compound
| Compound ID |
CP0494656
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| Compound Name |
4-[9-tert-Butyl-2-oxo-3-(4-trifluoromethoxy-phenyl)-1,3-diaza-spiro[5.5]undec-1-ylmethyl]-N-(1H-tetrazol-5-ylmethyl)-benzamide
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| Structure |
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| Formula |
C30H36F3N7O3
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| Molecular Weight |
599.658
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| Canonical SMILES |
CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)NCc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C30H36F3N7O3/c1-28(2,3)22-12-14-29(15-13-22)16-17-39(23-8-10-24(11-9-23)43-30(31,32)33)27(42)40(29)19-20-4-6-21(7-5-20)26(41)34-18-25-35-37-38-36-25/h4-11,22H,12-19H2,1-3H3,(H,34,41)(H,35,36,37,38)
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| InChIKey |
BBEVWACOHXBZRJ-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