General Information of the Compound
| Compound ID |
CP0520446
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| Compound Name |
1-[2-[[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]sulfonylamino]ethyl]imidazole-4,5-dicarboxylic acid
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| Structure |
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| Formula |
C29H31N5O6S
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| Molecular Weight |
577.663
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NCCn1cnc(C(O)=O)c1C(O)=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H31N5O6S/c1-19(24-8-4-6-20-5-2-3-7-25(20)24)32-21-13-15-33(17-21)22-9-11-23(12-10-22)41(39,40)31-14-16-34-18-30-26(28(35)36)27(34)29(37)38/h2-12,18-19,21,31-32H,13-17H2,1H3,(H,35,36)(H,37,38)/t19-,21+/m1/s1
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| InChIKey |
XQVAZARINDDSNF-CTNGQTDRSA-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