General Information of the Compound
| Compound ID |
CP0550165
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| Compound Name |
(6R,12R)-17-amino-8,9-dideuterio-12-methyl-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
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| Structure |
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| Formula |
C17H18F6N4O3
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| Molecular Weight |
442.3562036
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| Canonical SMILES |
[2H]C1CC[C@@H](C)Oc2nc(-c3nnc(o3)[C@](O)(CC1[2H])C(F)(F)F)c(N)cc2C(F)(F)F
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| InChI |
InChI=1S/C17H18F6N4O3/c1-8-5-3-2-4-6-15(28,17(21,22)23)14-27-26-13(30-14)11-10(24)7-9(16(18,19)20)12(25-11)29-8/h7-8,28H,2-6,24H2,1H3/t8-,15-/m1/s1/i2D,4D/t2?,4?,8-,15-
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| InChIKey |
DLWARPJOYKCFJR-CHAFFKDUSA-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