General Information of the Compound
| Compound ID |
CP0471999
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| Compound Name |
2-(6-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-hexyl)-isoindole-1,3-dione
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| Structure |
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| Formula |
C32H34N6O4
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| Molecular Weight |
566.662
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| Canonical SMILES |
O=C(CN1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
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| InChI |
InChI=1S/C32H34N6O4/c39-28(38-27-14-6-5-12-25(27)30(40)34-26-13-9-15-33-29(26)38)22-36-20-18-35(19-21-36)16-7-1-2-8-17-37-31(41)23-10-3-4-11-24(23)32(37)42/h3-6,9-15H,1-2,7-8,16-22H2,(H,34,40)
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| InChIKey |
DOPNDYBRRJTHNC-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