General Information of the Compound
| Compound ID |
CP0504828
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| Compound Name |
(R)-2-(1-(3-fluorobenzoyl)piperidin-4-ylidene)-N-(1-((6-fluoronaphthalen-2-yl)methyl)pyrrolidin-3-yl)acetamide
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| Structure |
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| Formula |
C29H29F2N3O2
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| Molecular Weight |
489.566
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| Canonical SMILES |
Fc1cccc(c1)C(=O)N1CCC(CC1)=CC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
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| InChI |
InChI=1S/C29H29F2N3O2/c30-25-3-1-2-24(17-25)29(36)34-12-8-20(9-13-34)15-28(35)32-27-10-11-33(19-27)18-21-4-5-23-16-26(31)7-6-22(23)14-21/h1-7,14-17,27H,8-13,18-19H2,(H,32,35)/t27-/m1/s1
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| InChIKey |
GEODVCGLPKOYSN-HHHXNRCGSA-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