General Information of the Compound
| Compound ID |
CP0550164
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| Compound Name |
(6R,12R)-17-amino-12-(hydroxymethyl)-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 |
C17H18F6N4O4
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| Molecular Weight |
456.343
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| Canonical SMILES |
Nc1cc(c2O[C@@H](CO)CCCCC[C@@](O)(c3nnc(o3)-c1n2)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C17H18F6N4O4/c18-16(19,20)9-6-10(24)11-13-26-27-14(31-13)15(29,17(21,22)23)5-3-1-2-4-8(7-28)30-12(9)25-11/h6,8,28-29H,1-5,7,24H2/t8-,15-/m1/s1
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| InChIKey |
UEAGNIFHCPBRKJ-ANRSDYALSA-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