General Information of the Compound
| Compound ID |
CP0575836
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| Compound Name |
(7R,11R)-8-ethyl-3-methoxy-7-methyl-11-(2-methyl-1,3-thiazol-5-yl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
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| Formula |
C27H33N7O3S
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| Molecular Weight |
535.674
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| Canonical SMILES |
CCN1[C@H](C)c2cc(c(OC)cn2)-c2cn3ccnc3c(OCCCCC[C@@H](NC1=O)c1cnc(C)s1)n2
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| InChI |
InChI=1S/C27H33N7O3S/c1-5-34-17(2)21-13-19(23(36-4)14-30-21)22-16-33-11-10-28-25(33)26(31-22)37-12-8-6-7-9-20(32-27(34)35)24-15-29-18(3)38-24/h10-11,13-17,20H,5-9,12H2,1-4H3,(H,32,35)/t17-,20-/m1/s1
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| InChIKey |
ZYGDDUFFDBXRQV-YLJYHZDGSA-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