General Information of the Compound
| Compound ID |
CP0547343
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| Compound Name |
3-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C29H32N4O
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| Molecular Weight |
452.602
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C1c2ccccc2CCc2ccccc12
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| InChI |
InChI=1S/C29H32N4O/c34-29-30-26-12-5-6-13-27(26)33(29)17-7-16-31-18-20-32(21-19-31)28-24-10-3-1-8-22(24)14-15-23-9-2-4-11-25(23)28/h1-6,8-13,28H,7,14-21H2,(H,30,34)
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| InChIKey |
DZEXQNYTGYAPCC-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