General Information of the Compound
| Compound ID |
CP0373760
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| Compound Name |
(2S)-2-amino-3-(1H-imidazol-4-yl)-N-[(2R)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}-3-(naphthalen-2-yl)-1-oxopropan-2-yl]propanamide
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| Structure |
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| Formula |
C32H36N6O4S
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| Molecular Weight |
600.745
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)Cc2cnc[nH]2)c2ccccc12
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| InChI |
InChI=1S/C32H36N6O4S/c1-43(41,42)38-20-32(26-8-4-5-9-29(26)38)12-14-37(15-13-32)31(40)28(36-30(39)27(33)18-25-19-34-21-35-25)17-22-10-11-23-6-2-3-7-24(23)16-22/h2-11,16,19,21,27-28H,12-15,17-18,20,33H2,1H3,(H,34,35)(H,36,39)/t27-,28+/m0/s1
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| InChIKey |
CNEVNNMBIGDVSA-WUFINQPMSA-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