General Information of the Compound
| Compound ID |
CP0046963
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| Compound Name |
20-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,15,17,23-tetrazatricyclo[14.5.2.019,22]tricosa-16,18,20,22-tetraen-6-ol
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| Structure |
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| Formula |
C31H46N6O
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| Molecular Weight |
518.75
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-7-11-27(38)10-6-4-2-3-5-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
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| InChIKey |
IKQPJOFHAZFMNC-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