General Information of the Compound
| Compound ID |
CP0444400
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| Compound Name |
N-[(3aS,9R,9aR)-4-[4-(trifluoromethoxy)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-N-cyclopropyl-3-(2H-tetrazol-5-yl)propanamide
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| Structure |
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| Formula |
C27H27F3N6O3
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| Molecular Weight |
540.546
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)C(=O)N1[C@H]2CCC[C@H]2[C@@H](N(C2CC2)C(=O)CCc2nn[nH]n2)c2ccccc12
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| InChI |
InChI=1S/C27H27F3N6O3/c28-27(29,30)39-18-12-8-16(9-13-18)26(38)36-21-6-2-1-4-19(21)25(20-5-3-7-22(20)36)35(17-10-11-17)24(37)15-14-23-31-33-34-32-23/h1-2,4,6,8-9,12-13,17,20,22,25H,3,5,7,10-11,14-15H2,(H,31,32,33,34)/t20-,22+,25+/m1/s1
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| InChIKey |
XDZWXUOQVPLTPZ-KJWPAHLWSA-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