General Information of the Compound
| Compound ID |
CP0066777
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| Compound Name |
(2S,3R)-3-methyl-1-N-[12-(1,1,1-trifluoro-2-methylpropan-2-yl)-8-oxa-3-thia-5,11-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-4-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C20H22F3N5O3S
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| Molecular Weight |
469.489
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| Canonical SMILES |
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2COc3cnc(cc3-c2s1)C(C)(C)C(F)(F)F
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| InChI |
InChI=1S/C20H22F3N5O3S/c1-9-4-5-28(14(9)16(24)29)18(30)27-17-26-11-8-31-12-7-25-13(6-10(12)15(11)32-17)19(2,3)20(21,22)23/h6-7,9,14H,4-5,8H2,1-3H3,(H2,24,29)(H,26,27,30)/t9-,14+/m1/s1
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| InChIKey |
WNEKFVMVOWZCDM-OTYXRUKQSA-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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