General Information of the Compound
| Compound ID |
CP0527158
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| Compound Name |
1-(6-(4-(3,6-bis(3-(pyrrolidin-1-yl)propanamido)acridin-9-ylamino)phenylamino)-6-oxohexanoyl)piperidine 1-oxide
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| Structure |
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| Formula |
C44H56N8O5
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| Molecular Weight |
776.983
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| Canonical SMILES |
[O-][N+]1(CCCCC1)C(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
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| InChI |
InChI=1S/C44H56N8O5/c53-40(10-2-3-11-43(56)52(57)28-8-1-9-29-52)45-32-12-14-33(15-13-32)48-44-36-18-16-34(46-41(54)20-26-50-22-4-5-23-50)30-38(36)49-39-31-35(17-19-37(39)44)47-42(55)21-27-51-24-6-7-25-51/h12-19,30-31H,1-11,20-29H2,(H,45,53)(H,46,54)(H,47,55)(H,48,49)
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| InChIKey |
DNLSELMHAILQJI-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