General Information of the Compound
| Compound ID |
CP0491256
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| Compound Name |
4-pyrrolidin-1-yl-N-[[5-[(4-pyrrolidin-1-ylbutanoylamino)methyl]acridin-4-yl]methyl]butanamide
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| Structure |
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| Formula |
C31H41N5O2
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| Molecular Weight |
515.702
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| Canonical SMILES |
O=C(CCCN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CCCN4CCCC4)c3nc12
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| InChI |
InChI=1S/C31H41N5O2/c37-28(13-7-19-35-15-1-2-16-35)32-22-26-11-5-9-24-21-25-10-6-12-27(31(25)34-30(24)26)23-33-29(38)14-8-20-36-17-3-4-18-36/h5-6,9-12,21H,1-4,7-8,13-20,22-23H2,(H,32,37)(H,33,38)
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| InChIKey |
DPNRVYJYCOXFLT-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