General Information of the Compound
| Compound ID |
CP0404912
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| Compound Name |
N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-methoxybenzoyl)piperidin-4-ylidene]acetamide
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| Structure |
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| Formula |
C30H32FN3O3
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| Molecular Weight |
501.602
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| Canonical SMILES |
COc1ccccc1C(=O)N1CCC(CC1)=CC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
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| InChI |
InChI=1S/C30H32FN3O3/c1-37-28-5-3-2-4-27(28)30(36)34-14-10-21(11-15-34)17-29(35)32-26-12-13-33(20-26)19-22-6-7-24-18-25(31)9-8-23(24)16-22/h2-9,16-18,26H,10-15,19-20H2,1H3,(H,32,35)/t26-/m1/s1
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| InChIKey |
IJNQDTPSBBJNGA-AREMUKBSSA-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