General Information of the Compound
| Compound ID |
CP0941598
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| Compound Name |
N-((1S,2S)-2-hydroxycyclohexyl)-1-methoxy-4-((4-(1-methyl-1H-pyrazol-4-yl)piperazin-1-yl)methyl)-2-naphthamide
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| Structure |
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| Formula |
C27H35N5O3
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| Molecular Weight |
477.609
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| Canonical SMILES |
COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(CN2CCN(c3cnn(C)c3)CC2)c2ccccc12
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| InChI |
InChI=1S/C27H35N5O3/c1-30-18-20(16-28-30)32-13-11-31(12-14-32)17-19-15-23(26(35-2)22-8-4-3-7-21(19)22)27(34)29-24-9-5-6-10-25(24)33/h3-4,7-8,15-16,18,24-25,33H,5-6,9-14,17H2,1-2H3,(H,29,34)/t24-,25-/m0/s1
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| InChIKey |
IPKFYSUUAKWQJX-DQEYMECFSA-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