General Information of the Compound
| Compound ID |
CP0438067
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| Compound Name |
(S)-2-(5,7-dimethyl-2-oxo-3-(2-oxo-2-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-ylamino)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N,N-dimethylacetamide
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| Structure |
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| Formula |
C30H30N6O4
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| Molecular Weight |
538.608
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| Canonical SMILES |
CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)c1=O
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| InChI |
InChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1
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| InChIKey |
PBWHSDOEPJZMGV-PMERELPUSA-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