General Information of the Compound
| Compound ID |
CP0430186
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| Compound Name |
2-(5-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-pentyl)-isoindole-1,3-dione
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| Structure |
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| Formula |
C31H32N6O4
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| Molecular Weight |
552.635
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| Canonical SMILES |
O=C(CN1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
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| InChI |
InChI=1S/C31H32N6O4/c38-27(37-26-13-5-4-11-24(26)29(39)33-25-12-8-14-32-28(25)37)21-35-19-17-34(18-20-35)15-6-1-7-16-36-30(40)22-9-2-3-10-23(22)31(36)41/h2-5,8-14H,1,6-7,15-21H2,(H,33,39)
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| InChIKey |
ZTTSJHWCSXDEGV-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