General Information of the Compound
| Compound ID |
CP0487791
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| Compound Name |
4-[[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]-(1H-indazol-6-ylmethyl)amino]butanoic acid
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| Structure |
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| Formula |
C27H32N4O4
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| Molecular Weight |
476.577
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| Canonical SMILES |
Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc3cn[nH]c3c2)c1
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| InChI |
InChI=1S/C27H32N4O4/c1-18-11-19(2)13-21(12-18)15-24(32)31-10-8-27(31,3)26(35)30(9-4-5-25(33)34)17-20-6-7-22-16-28-29-23(22)14-20/h6-7,11-14,16H,4-5,8-10,15,17H2,1-3H3,(H,28,29)(H,33,34)
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| InChIKey |
IEEPPMNYSACAPF-UHFFFAOYSA-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