General Information of the Compound
| Compound ID |
CP0441785
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| Compound Name |
11-[2-(4-Prop-2-ynyl-piperazin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
O=C(CN1CCN(CC#C)CC1)N1c2ccccc2C(=O)Nc2cccnc12
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| InChI |
InChI=1S/C21H21N5O2/c1-2-10-24-11-13-25(14-12-24)15-19(27)26-18-8-4-3-6-16(18)21(28)23-17-7-5-9-22-20(17)26/h1,3-9H,10-15H2,(H,23,28)
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| InChIKey |
OYVWSEIGFJSMAM-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