General Information of the Compound
| Compound ID |
CP0443560
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| Compound Name |
4-butoxy-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1
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| InChI |
InChI=1S/C25H33N3O3/c1-3-4-16-30-21-10-8-19(9-11-21)25(29)26-20-17-22-23(6-5-7-24(22)31-18-20)28-14-12-27(2)13-15-28/h5-11,20H,3-4,12-18H2,1-2H3,(H,26,29)/t20-/m0/s1
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| InChIKey |
FJRDLZMPXZFWKP-FQEVSTJZSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha