General Information of the Compound
| Compound ID |
CP0912140
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| Compound Name |
4-[[1-(2-Benzo[b]thiophen-3-yl-acetyl)-2-methyl-azetidine-2-carbonyl]-(1H-indazol-6-ylmethyl)-amino]-butyric acid
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| Structure |
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| Formula |
C27H28N4O4S
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| Molecular Weight |
504.612
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| Canonical SMILES |
CC1(C(=O)N(CCCC(=O)O)Cc2ccc3cn[nH]c3c2)CCN1C(=O)Cc1csc2ccccc12
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| InChI |
InChI=1S/C27H28N4O4S/c1-27(10-12-31(27)24(32)14-20-17-36-23-6-3-2-5-21(20)23)26(35)30(11-4-7-25(33)34)16-18-8-9-19-15-28-29-22(19)13-18/h2-3,5-6,8-9,13,15,17H,4,7,10-12,14,16H2,1H3,(H,28,29)(H,33,34)
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| InChIKey |
KGPCQGPVKJIRHX-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