General Information of the Compound
| Compound ID |
CP0579031
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| Compound Name |
17-amino-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 |
C16H16F6N4O3
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| Molecular Weight |
426.317
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| Canonical SMILES |
Nc1cc(c2OCCCCCCC(O)(c3nnc(o3)-c1n2)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H16F6N4O3/c17-15(18,19)8-7-9(23)10-12-25-26-13(29-12)14(27,16(20,21)22)5-3-1-2-4-6-28-11(8)24-10/h7,27H,1-6,23H2
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| InChIKey |
PBJBCMWIKGTAQV-UHFFFAOYSA-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