General Information of the Compound
| Compound ID |
CP0182901
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| Compound Name |
N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C32H45N7O2
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| Molecular Weight |
559.759
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| Canonical SMILES |
CN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12
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| InChI |
InChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-25(35-31(41)13-21-39-18-5-6-19-39)23-29(26)36-28-11-9-24(22-27(28)32)34-30(40)12-20-38-16-3-4-17-38/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41)
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| InChIKey |
PAKROSIHWVOHIZ-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