General Information of the Compound
| Compound ID |
CP0451274
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| Compound Name |
5-[(2R)-11-(4-amino-4-methylpiperidin-1-yl)-4,7,10-triazatricyclo[7.4.0.02,7]trideca-1(9),10,12-trien-4-yl]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C26H29N7
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| Molecular Weight |
439.567
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| Canonical SMILES |
CC1(N)CCN(CC1)c1ccc2[C@@H]3CN(CCN3Cc2n1)c1ccc(C#N)c2ncccc12
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| InChI |
InChI=1S/C26H29N7/c1-26(28)8-11-31(12-9-26)24-7-5-19-21(30-24)16-32-13-14-33(17-23(19)32)22-6-4-18(15-27)25-20(22)3-2-10-29-25/h2-7,10,23H,8-9,11-14,16-17,28H2,1H3/t23-/m0/s1
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| InChIKey |
LDISRPMCMZFMTM-QHCPKHFHSA-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9