General Information of the Compound
| Compound ID |
CP0251948
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| Compound Name |
12-[4-(piperidin-1-ylmethyl)phenyl]-4-pyridin-4-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
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| Structure |
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| Formula |
C27H25N5
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| Molecular Weight |
419.532
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| Canonical SMILES |
C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1ccncc1
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| InChI |
InChI=1S/C27H25N5/c1-2-12-32(13-3-1)18-19-4-6-20(7-5-19)22-14-24-23-15-25(21-8-10-28-11-9-21)29-17-26(23)31-27(24)30-16-22/h4-11,14-17H,1-3,12-13,18H2,(H,30,31)
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| InChIKey |
IANXMZMJBKUVLQ-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