General Information of the Compound
| Compound ID |
CP0576059
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| Compound Name |
(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-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 |
C25H31F3N6O4
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| Molecular Weight |
536.555
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| Canonical SMILES |
CCN1[C@H](C)c2cc(c(OC)cn2)-c2cc3ccnn3c(OCCOCC[C@H](CCC(F)(F)F)NC1=O)n2
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| InChI |
InChI=1S/C25H31F3N6O4/c1-4-33-16(2)20-14-19(22(36-3)15-29-20)21-13-18-6-9-30-34(18)24(32-21)38-12-11-37-10-7-17(31-23(33)35)5-8-25(26,27)28/h6,9,13-17H,4-5,7-8,10-12H2,1-3H3,(H,31,35)/t16-,17+/m1/s1
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| InChIKey |
NQJMQVMEPBABFR-SJORKVTESA-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