General Information of the Compound
| Compound ID |
CP0735614
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| Compound Name |
1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-3-hydroxy-(2S)-propanamide; Trifluoroacetate
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| Structure |
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| Formula |
C28H35F3N4O8S
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| Molecular Weight |
644.669
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@@H](N)CO)CC2)c2ccccc21.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H34N4O6S.C2HF3O2/c1-37(34,35)30-18-26(20-9-5-6-10-23(20)30)11-13-29(14-12-26)25(33)22(28-24(32)21(27)15-31)17-36-16-19-7-3-2-4-8-19;3-2(4,5)1(6)7/h2-10,21-22,31H,11-18,27H2,1H3,(H,28,32);(H,6,7)/t21-,22+;/m0./s1
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| InChIKey |
KCAANCTYGBJDON-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