General Information of the Compound
| Compound ID |
CP0451017
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| Compound Name |
(8S)-N-methyl-N-[[(3R)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C28H35N7
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| Molecular Weight |
469.637
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ncccn1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C28H35N7/c1-33(26-10-2-6-21-8-4-11-29-27(21)26)20-23-18-24-22(19-32-23)7-3-9-25(24)34-14-16-35(17-15-34)28-30-12-5-13-31-28/h3-5,7-9,11-13,23,26,32H,2,6,10,14-20H2,1H3/t23-,26+/m1/s1
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| InChIKey |
SBWDNXAOTCMVAA-BVAGGSTKSA-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