General Information of the Compound
| Compound ID |
CP0515980
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| Compound Name |
4-[cyclopropyl-(3-phenylmethoxycarbonyl-2,2a,8,8a-tetrahydro-1H-cyclobuta[b]quinolin-8-yl)amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C26H28N2O5
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| Molecular Weight |
448.519
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| Canonical SMILES |
OC(=O)CCC(=O)N(C1CC1)C1C2CCC2N(C(=O)OCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H28N2O5/c29-23(14-15-24(30)31)27(18-10-11-18)25-19-8-4-5-9-21(19)28(22-13-12-20(22)25)26(32)33-16-17-6-2-1-3-7-17/h1-9,18,20,22,25H,10-16H2,(H,30,31)
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| InChIKey |
KBWMVRCDIQNGHO-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