General Information of the Compound
| Compound ID |
CP0449042
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| Compound Name |
1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C34H34FN5O2
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| Molecular Weight |
563.677
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| Canonical SMILES |
Fc1ccccc1CN1C(=O)N(C2CCCc3ccccc23)C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1
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| InChI |
InChI=1S/C34H34FN5O2/c35-30-10-4-2-7-27(30)23-39-33(42)40(31-11-5-8-26-6-1-3-9-29(26)31)32(41)34(39)16-19-37(20-17-34)22-25-12-14-28(15-13-25)38-21-18-36-24-38/h1-4,6-7,9-10,12-15,18,21,24,31H,5,8,11,16-17,19-20,22-23H2
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| InChIKey |
BAFGXZMFFXRBQV-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