General Information of the Compound
| Compound ID |
CP0469835
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| Compound Name |
3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide
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| Structure |
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| Formula |
C41H57N5O2
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| Molecular Weight |
651.94
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| Canonical SMILES |
CC1(C)CC2CN(CCC(=O)Nc3ccc4cc5ccc(NC(=O)CCN6CC7CC(C)(C)CC(C)(C7)C6)cc5nc4c3)CC(C)(C2)C1
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| InChI |
InChI=1S/C41H57N5O2/c1-38(2)18-28-20-40(5,24-38)26-45(22-28)13-11-36(47)42-32-9-7-30-15-31-8-10-33(17-35(31)44-34(30)16-32)43-37(48)12-14-46-23-29-19-39(3,4)25-41(6,21-29)27-46/h7-10,15-17,28-29H,11-14,18-27H2,1-6H3,(H,42,47)(H,43,48)
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| InChIKey |
SCWNDIPKIKGPJD-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