General Information of the Compound
| Compound ID |
CP0430651
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| Compound Name |
(S)-1-((3'-methyl-2',5'-dioxo-6,8-dihydrospiro[cyclopenta[g]quinoline-7,4'-imidazolidine]-2-yl)methyl)-1H-imidazo[1,5,4-de]quinoxaline-2,5(4H,6H)-dione
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| Structure |
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| Formula |
C25H20N6O4
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| Molecular Weight |
468.473
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| Canonical SMILES |
CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(Cn4c5cccc6NC(=O)Cn(c56)c4=O)nc3cc2C1
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| InChI |
InChI=1S/C25H20N6O4/c1-29-23(34)28-22(33)25(29)9-14-7-13-5-6-16(26-18(13)8-15(14)10-25)11-30-19-4-2-3-17-21(19)31(24(30)35)12-20(32)27-17/h2-8H,9-12H2,1H3,(H,27,32)(H,28,33,34)/t25-/m0/s1
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| InChIKey |
NIDRSUIUJBMPLL-VWLOTQADSA-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