General Information of the Compound
| Compound ID |
CP0576107
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| Compound Name |
5-cyclopentyl-17-hydroxy-7,12,20-trioxa-5-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),9,14(19),15,17-heptaen-21-one
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| Structure |
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| Formula |
C22H19NO5
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| Molecular Weight |
377.396
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| Canonical SMILES |
Oc1ccc2c3oc4ccc5OCN(Cc5c4c3c(=O)oc2c1)C1CCCC1
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| InChI |
InChI=1S/C22H19NO5/c24-13-5-6-14-18(9-13)28-22(25)20-19-15-10-23(12-3-1-2-4-12)11-26-16(15)7-8-17(19)27-21(14)20/h5-9,12,24H,1-4,10-11H2
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| InChIKey |
QCLAVDQVXLANOP-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