General Information of the Compound
| Compound ID |
CP0444403
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| Compound Name |
4-[[(2aS,8R,8aR)-3-[4-(trifluoromethoxy)benzoyl]-2,2a,8,8a-tetrahydro-1H-cyclobuta[b]quinolin-8-yl]-cyclopropylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C26H25F3N2O5
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| Molecular Weight |
502.489
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| Canonical SMILES |
OC(=O)CCC(=O)N(C1CC1)[C@@H]1[C@@H]2CC[C@@H]2N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12
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| InChI |
InChI=1S/C26H25F3N2O5/c27-26(28,29)36-17-9-5-15(6-10-17)25(35)31-20-4-2-1-3-18(20)24(19-11-12-21(19)31)30(16-7-8-16)22(32)13-14-23(33)34/h1-6,9-10,16,19,21,24H,7-8,11-14H2,(H,33,34)/t19-,21+,24+/m1/s1
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| InChIKey |
BWTYCMYHBBZDDQ-IZIIKQMZSA-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