General Information of the Compound
| Compound ID |
CP0727184
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| Compound Name |
2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-3-oxo-(2S)-propyl octanoate; trifluoroacetate
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| Structure |
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| Formula |
C30H45F3N4O8S
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| Molecular Weight |
678.771
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| Canonical SMILES |
CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C28H44N4O6S.C2HF3O2/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28;3-2(4,5)1(6)7/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35);(H,6,7)/t22-;/m0./s1
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| InChIKey |
UGKSOWGQINMOFO-FTBISJDPSA-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