General Information of the Compound
| Compound ID |
CP0219084
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| Compound Name |
13-methoxy-16,16-dioxo-16lambda6-thia-5,12,15,23-tetrazaheptacyclo[21.5.3.26,9.110,14.117,21.02,7.026,30]pentatriaconta-1(29),2(7),3,5,8,10(33),11,13,17,19,21(32),26(30),27,34-tetradecaen-22-one
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| Structure |
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| Formula |
C31H24N4O4S
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| Molecular Weight |
548.624
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)N1CCc3ccc(cc3C1)-c1ccnc3ccc-2cc13
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| InChI |
InChI=1S/C31H24N4O4S/c1-39-30-29-16-23(17-33-30)20-7-8-28-27(15-20)26(9-11-32-28)21-6-5-19-10-12-35(18-24(19)13-21)31(36)22-3-2-4-25(14-22)40(37,38)34-29/h2-9,11,13-17,34H,10,12,18H2,1H3
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| InChIKey |
AZNXDDUMHYOLFX-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