General Information of the Compound
| Compound ID |
CP0677986
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| Compound Name |
2-[1-amino-2-hydroxy-(1S)-ethylcarboxamido]-3-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-3-oxo-(2R)-propyl octanoate; Trifluoroacetate
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| Structure |
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| Formula |
C29H43F3N4O9S
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| Molecular Weight |
680.743
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| Canonical SMILES |
CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H42N4O7S.C2HF3O2/c1-3-4-5-6-7-12-24(33)38-18-22(29-25(34)21(28)17-32)26(35)30-15-13-27(14-16-30)19-31(39(2,36)37)23-11-9-8-10-20(23)27;3-2(4,5)1(6)7/h8-11,21-22,32H,3-7,12-19,28H2,1-2H3,(H,29,34);(H,6,7)/t21-,22+;/m0./s1
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| InChIKey |
SPENCPCHRADLJP-UMIAIAFLSA-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