General Information of the Compound
| Compound ID |
CP0550166
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| Compound Name |
(6R)-17-amino-11,11-dimethyl-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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| Formula |
C18H20F6N4O3
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| Molecular Weight |
454.371
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| Canonical SMILES |
CC1(C)CCCC[C@@](O)(c2nnc(o2)-c2nc(OC1)c(cc2N)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H20F6N4O3/c1-15(2)5-3-4-6-16(29,18(22,23)24)14-28-27-13(31-14)11-10(25)7-9(17(19,20)21)12(26-11)30-8-15/h7,29H,3-6,8,25H2,1-2H3/t16-/m1/s1
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| InChIKey |
VGCFFRXWSDGNKE-MRXNPFEDSA-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