General Information of the Compound
| Compound ID |
CP0322364
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| Compound Name |
(8S)-N-[[(3R)-5-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C27H37N5
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| Molecular Weight |
431.628
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C27H37N5/c1-30-13-11-21-16-32(18-26(21)30)24-9-4-7-20-15-29-22(14-23(20)24)17-31(2)25-10-3-6-19-8-5-12-28-27(19)25/h4-5,7-9,12,21-22,25-26,29H,3,6,10-11,13-18H2,1-2H3/t21-,22+,25-,26+/m0/s1
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| InChIKey |
CEHFZBBVTDMZDR-MRGHISEYSA-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