General Information of the Compound
| Compound ID |
CP0571033
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| Compound Name |
(7R,11S)-11-(3,3-difluorobutyl)-8-ethyl-7-methyl-14,17-dioxa-5,8,10,19,20,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),20,22-heptaen-9-one
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| Formula |
C25H32F2N6O3
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| Molecular Weight |
502.566
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| Canonical SMILES |
CCN1[C@H](C)c2cc(ccn2)-c2cc3ccnn3c(OCCOCC[C@H](CCC(C)(F)F)NC1=O)n2
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| InChI |
InChI=1S/C25H32F2N6O3/c1-4-32-17(2)21-15-18(6-10-28-21)22-16-20-7-11-29-33(20)24(31-22)36-14-13-35-12-8-19(30-23(32)34)5-9-25(3,26)27/h6-7,10-11,15-17,19H,4-5,8-9,12-14H2,1-3H3,(H,30,34)/t17-,19+/m1/s1
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| InChIKey |
YUARDLVSUBRLFK-MJGOQNOKSA-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