General Information of the Compound
| Compound ID |
CP0408848
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| Compound Name |
11-{2-[4-(10-Amino-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 |
C28H40N6O2
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| Molecular Weight |
492.668
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| Canonical SMILES |
NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C28H40N6O2/c29-15-9-5-3-1-2-4-6-10-17-32-18-20-33(21-19-32)22-26(35)34-25-14-8-7-12-23(25)28(36)31-24-13-11-16-30-27(24)34/h7-8,11-14,16H,1-6,9-10,15,17-22,29H2,(H,31,36)
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| InChIKey |
DUAOAOXLNNHLSG-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