General Information of the Compound
| Compound ID |
CP0374402
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| Compound Name |
8-[4-(6-amino-pyridin-3-yl)-benzyl]-1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C33H32FN5O3
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| Molecular Weight |
565.649
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccc(N)nc3)CC2)C1=O
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| InChI |
InChI=1S/C33H32FN5O3/c1-42-28-7-4-6-27(19-28)39-31(40)33(38(32(39)41)22-26-5-2-3-8-29(26)34)15-17-37(18-16-33)21-23-9-11-24(12-10-23)25-13-14-30(35)36-20-25/h2-14,19-20H,15-18,21-22H2,1H3,(H2,35,36)
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| InChIKey |
FUZADFOVBMYWBQ-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