General Information of the Compound
| Compound ID |
CP0393719
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| Compound Name |
[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-methylpyridin-2-yl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C30H38N4O2S
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| Molecular Weight |
518.727
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1ccc(C)cn1
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| InChI |
InChI=1S/C30H38N4O2S/c1-21-4-11-29(31-19-21)33-13-15-34(16-14-33)30(35)27-10-7-25(18-28(27)24-12-17-37-20-24)32-22(2)23-5-8-26(36-3)9-6-23/h4-6,8-9,11-12,17,19-20,22,25,27-28,32H,7,10,13-16,18H2,1-3H3/t22-,25-,27+,28-/m1/s1
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| InChIKey |
VMZAGDDMMQIQNB-KXQRYBCWSA-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