General Information of the Compound
| Compound ID |
CP0100319
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| Compound Name |
2,7-Bis[3-(piperidino)propionamido]anthraquinone
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| Synonyms |
2,7-Bis[3-(piperidino)propionamido]anthraquinone
BDBM50068321
CHEMBL89250
OFUHVIUIKBRCMP-UHFFFAOYSA-N
SCHEMBL4300594
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| Structure |
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| Formula |
C30H36N4O4
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| Molecular Weight |
516.642
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| Canonical SMILES |
O=C(CCN1CCCCC1)Nc1ccc2C(=O)c3ccc(NC(=O)CCN4CCCCC4)cc3C(=O)c2c1
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| InChI |
InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)30(38)26-20-22(8-10-24(26)29(23)37)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)
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| InChIKey |
OFUHVIUIKBRCMP-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