General Information of the Compound
| Compound ID |
CP0384753
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| Compound Name |
2-(3-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-propyl)-isoindole-1,3-dione
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| Structure |
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| Formula |
C29H28N6O4
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| Molecular Weight |
524.581
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| Canonical SMILES |
O=C(CN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
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| InChI |
InChI=1S/C29H28N6O4/c36-25(35-24-11-4-3-9-22(24)27(37)31-23-10-5-12-30-26(23)35)19-33-17-15-32(16-18-33)13-6-14-34-28(38)20-7-1-2-8-21(20)29(34)39/h1-5,7-12H,6,13-19H2,(H,31,37)
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| InChIKey |
WXPFXWDGDBXSEQ-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