General Information of the Compound
| Compound ID |
CP0245629
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| Compound Name |
N-[9-(2-methoxyethylamino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C30H40N6O3
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| Molecular Weight |
532.689
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| Canonical SMILES |
COCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
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| InChI |
InChI=1S/C30H40N6O3/c1-39-19-12-31-30-24-8-6-22(32-28(37)10-17-35-13-2-3-14-35)20-26(24)34-27-21-23(7-9-25(27)30)33-29(38)11-18-36-15-4-5-16-36/h6-9,20-21H,2-5,10-19H2,1H3,(H,31,34)(H,32,37)(H,33,38)
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| InChIKey |
VDFQRFWWLKQVTR-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