General Information of the Compound
| Compound ID |
CP0523540
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| Compound Name |
N-[3-(1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C33H42N8O3
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| Molecular Weight |
598.752
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| Canonical SMILES |
O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C33H42N8O3/c42-31(39-16-10-25(11-17-39)38-14-4-1-5-15-38)29(21-23-8-9-27-24(20-23)22-34-37-27)36-32(43)40-18-12-26(13-19-40)41-30-7-3-2-6-28(30)35-33(41)44/h2-3,6-9,20,22,25-26,29H,1,4-5,10-19,21H2,(H,34,37)(H,35,44)(H,36,43)
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| InChIKey |
XNPPAPISIBTENR-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