General Information of the Compound
| Compound ID |
CP0579200
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| Compound Name |
1-[3-[3-(7-azaspiro[4.5]decane-7-carbonyl)-2-fluorophenyl]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C29H30FN3O3
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| Molecular Weight |
487.575
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| Canonical SMILES |
OC(=O)c1cnn(c1C1CC1)-c1cccc(c1)-c1cccc(C(=O)N2CCCC3(CCCC3)C2)c1F
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| InChI |
InChI=1S/C29H30FN3O3/c30-25-22(8-4-9-23(25)27(34)32-15-5-14-29(18-32)12-1-2-13-29)20-6-3-7-21(16-20)33-26(19-10-11-19)24(17-31-33)28(35)36/h3-4,6-9,16-17,19H,1-2,5,10-15,18H2,(H,35,36)
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| InChIKey |
FYLZVZGTDOOUTC-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