General Information of the Compound
| Compound ID |
CP0444398
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| Compound Name |
4-[[(3aS,9R,9aR)-4-[(1S)-1-(4-fluorophenyl)ethoxy]carbonyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-cyclopropylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C28H31FN2O5
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| Molecular Weight |
494.563
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| Canonical SMILES |
C[C@H](OC(=O)N1[C@H]2CCC[C@H]2[C@@H](N(C2CC2)C(=O)CCC(O)=O)c2ccccc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H31FN2O5/c1-17(18-9-11-19(29)12-10-18)36-28(35)31-23-7-3-2-5-21(23)27(22-6-4-8-24(22)31)30(20-13-14-20)25(32)15-16-26(33)34/h2-3,5,7,9-12,17,20,22,24,27H,4,6,8,13-16H2,1H3,(H,33,34)/t17-,22+,24-,27-/m0/s1
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| InChIKey |
JTHCSPZXDGQGLZ-VBRRKGIISA-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