General Information of the Compound
| Compound ID |
CP0468081
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| Compound Name |
N-[6-methoxy-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 |
C31H35N5O3
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| Molecular Weight |
525.653
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| Canonical SMILES |
COc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C31H35N5O3/c1-39-24-9-10-25-22(18-24)8-11-27(26(25)17-21-5-4-14-32-19-21)33-30(37)20-35-15-12-23(13-16-35)36-29-7-3-2-6-28(29)34-31(36)38/h2-7,9-10,14,18-19,23,26-27H,8,11-13,15-17,20H2,1H3,(H,33,37)(H,34,38)
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| InChIKey |
XGRFTVVYUASJBI-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