General Information of the Compound
| Compound ID |
CP0542808
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| Compound Name |
4-(1,2-benzisoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1noc2ccccc12)NC1CCCc2ccccc12
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| InChI |
InChI=1S/C27H34N4O2/c32-26(28-24-13-8-10-21-9-3-4-11-22(21)24)15-2-1-7-16-30-17-19-31(20-18-30)27-23-12-5-6-14-25(23)33-29-27/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,32)
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| InChIKey |
ISEOJESJFBLHJX-UHFFFAOYSA-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