General Information of the Compound
| Compound ID |
CP0217524
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| Compound Name |
2,7-Bis[3-(pyrrolidino)propionamido]anthraquinone
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| Synonyms |
2,7-Bis[3-(pyrrolidino)propionamido]anthraquinone
BDBM50068320
CHEMBL144757
CUZAYOMYKDAXQR-UHFFFAOYSA-N
N,N'-(9,10-Dihydro-9,10-dioxoanthracene-2,7-diyl)bis[3-(pyrrolidine-1-yl)propanamide]
SCHEMBL4298492
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| Structure |
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| Formula |
C28H32N4O4
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| Molecular Weight |
488.588
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| Canonical SMILES |
O=C(CCN1CCCC1)Nc1ccc2C(=O)c3ccc(NC(=O)CCN4CCCC4)cc3C(=O)c2c1
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| InChI |
InChI=1S/C28H32N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)28(36)24-18-20(6-8-22(24)27(21)35)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18H,1-4,9-16H2,(H,29,33)(H,30,34)
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| InChIKey |
CUZAYOMYKDAXQR-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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Clinical Information about the Compound