General Information of the Compound
| Compound ID |
CP0377584
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| Compound Name |
N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C30H33N5O3
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| Molecular Weight |
511.626
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| Canonical SMILES |
Oc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C30H33N5O3/c36-23-8-9-24-21(17-23)7-10-26(25(24)16-20-4-3-13-31-18-20)32-29(37)19-34-14-11-22(12-15-34)35-28-6-2-1-5-27(28)33-30(35)38/h1-6,8-9,13,17-18,22,25-26,36H,7,10-12,14-16,19H2,(H,32,37)(H,33,38)
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| InChIKey |
YFKQDXLMNXUUCE-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