General Information of the Compound
| Compound ID |
CP0389425
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| Compound Name |
(8S)-N-(cyclohexylmethyl)-N-[[(3R)-5-piperazin-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 |
C30H43N5
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| Molecular Weight |
473.709
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| Canonical SMILES |
C(C1CCCCC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C30H43N5/c1-2-7-23(8-3-1)21-35(29-13-4-9-24-11-6-14-32-30(24)29)22-26-19-27-25(20-33-26)10-5-12-28(27)34-17-15-31-16-18-34/h5-6,10-12,14,23,26,29,31,33H,1-4,7-9,13,15-22H2/t26-,29+/m1/s1
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| InChIKey |
RNLVYINGLBPILI-UHSQPCAPSA-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