General Information of the Compound
| Compound ID |
CP0117858
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| Compound Name |
N-[(4,4-difluorocyclohexyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C30H42F2N4
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| Molecular Weight |
496.69
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| Canonical SMILES |
FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1
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| InChI |
InChI=1S/C30H42F2N4/c31-30(32)14-12-23(13-15-30)20-33-16-3-4-18-36(28-11-5-9-24-10-6-17-34-29(24)28)22-27-19-25-7-1-2-8-26(25)21-35-27/h1-2,6-8,10,17,23,27-28,33,35H,3-5,9,11-16,18-22H2/t27-,28+/m1/s1
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| InChIKey |
AWKOHKZMMSJRFV-IZLXSDGUSA-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