General Information of the Compound
| Compound ID |
CP0453946
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| Compound Name |
11-{2-[4-(10-Diethylamino-decyl)-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 |
C32H48N6O2
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| Molecular Weight |
548.776
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| Canonical SMILES |
CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C32H48N6O2/c1-3-35(4-2)20-13-9-7-5-6-8-10-14-21-36-22-24-37(25-23-36)26-30(39)38-29-18-12-11-16-27(29)32(40)34-28-17-15-19-33-31(28)38/h11-12,15-19H,3-10,13-14,20-26H2,1-2H3,(H,34,40)
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| InChIKey |
WKLJQNIJCVEGNC-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