General Information of the Compound
| Compound ID |
CP0069481
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C30H39FN6O
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| Molecular Weight |
518.681
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| Canonical SMILES |
Cn1c2CCN(CCc2c2ccccc12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
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| InChI |
InChI=1S/C30H39FN6O/c1-34-26-5-3-2-4-24(26)25-9-16-36(17-10-27(25)34)23-7-14-37(15-8-23)29(38)30(31)11-18-35(19-12-30)21-22-6-13-33-28(32)20-22/h2-6,13,20,23H,7-12,14-19,21H2,1H3,(H2,32,33)
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| InChIKey |
VBAGFAWQNDYXGA-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