General Information of the Compound
| Compound ID |
CP0089958
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| Compound Name |
N-(3-acetylphenyl)-15-amino-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
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| Structure |
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| Formula |
C22H17N3O4S
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| Molecular Weight |
419.462
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)c2sc3nc4cc5OCCOc5cc4cc3c2N)c1
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| InChI |
InChI=1S/C22H17N3O4S/c1-11(26)12-3-2-4-14(7-12)24-21(27)20-19(23)15-8-13-9-17-18(29-6-5-28-17)10-16(13)25-22(15)30-20/h2-4,7-10H,5-6,23H2,1H3,(H,24,27)
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| InChIKey |
IIAMBYTZHAPBQC-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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