General Information of the Compound
| Compound ID |
CP0238677
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| Compound Name |
(8E)-14-(2-pyrrolidin-1-ylethoxy)-6,11,25-trioxa-18,20,23-triazatetracyclo[17.3.1.12,5.113,17]pentacosa-1(23),2,4,8,13,15,17(24),19,21-nonaene
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(OC\C=C\COCc1c2)o3
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| InChI |
InChI=1S/C25H28N4O4/c1-2-12-29(11-1)13-16-31-22-6-5-20-17-19(22)18-30-14-3-4-15-32-24-8-7-23(33-24)21-9-10-26-25(27-20)28-21/h3-10,17H,1-2,11-16,18H2,(H,26,27,28)/b4-3+
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| InChIKey |
WLSNEPFUAQBBFD-ONEGZZNKSA-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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