General Information of the Compound
| Compound ID |
CP0542936
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| Compound Name |
4-[cyclopropyl-(10-phenylmethoxycarbonyl-2,3,4,4a,9,9a-hexahydro-1H-acridin-9-yl)amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
OC(=O)CCC(=O)N(C1CC1)C1C2CCCCC2N(C(=O)OCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C28H32N2O5/c31-25(16-17-26(32)33)29(20-14-15-20)27-21-10-4-6-12-23(21)30(24-13-7-5-11-22(24)27)28(34)35-18-19-8-2-1-3-9-19/h1-4,6,8-10,12,20,22,24,27H,5,7,11,13-18H2,(H,32,33)
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| InChIKey |
HRQNFEGHBNZHPV-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