General Information of the Compound
| Compound ID |
CP0453230
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| Compound Name |
5-Ethyl-11-[2-(4-methyl-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 |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CCN1c2cccnc2N(C(=O)CN2CCN(C)CC2)c2ccccc2C1=O
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| InChI |
InChI=1S/C21H25N5O2/c1-3-25-18-9-6-10-22-20(18)26(17-8-5-4-7-16(17)21(25)28)19(27)15-24-13-11-23(2)12-14-24/h4-10H,3,11-15H2,1-2H3
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| InChIKey |
JPWRVTMQMDMAHT-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