General Information of the Compound
| Compound ID |
CP0861392
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| Compound Name |
N-((1S,2S)-2-hydroxycyclohexyl)-4-((4-(isoquinolin-3-yl)piperazin-1-yl)methyl)-1-methoxy-2-naphthamide
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| Structure |
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| Formula |
C32H36N4O3
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| Molecular Weight |
524.665
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| Canonical SMILES |
COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(CN2CCN(c3cc4ccccc4cn3)CC2)c2ccccc12
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| InChI |
InChI=1S/C32H36N4O3/c1-39-31-26-11-5-4-10-25(26)24(18-27(31)32(38)34-28-12-6-7-13-29(28)37)21-35-14-16-36(17-15-35)30-19-22-8-2-3-9-23(22)20-33-30/h2-5,8-11,18-20,28-29,37H,6-7,12-17,21H2,1H3,(H,34,38)/t28-,29-/m0/s1
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| InChIKey |
CUWWWGVFAXQTBT-VMPREFPWSA-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