General Information of the Compound
| Compound ID |
CP0912231
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| Compound Name |
SID144190623
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2cc(-c3ccccc3)on2)CC1
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| InChI |
InChI=1S/C28H32N4O3/c1-31-24-15-21(34-2)8-9-22(24)26-27(31)23(17-33)29-18-28(26)10-12-32(13-11-28)16-20-14-25(35-30-20)19-6-4-3-5-7-19/h3-9,14-15,23,29,33H,10-13,16-18H2,1-2H3/t23-/m0/s1
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| InChIKey |
HCLVZZGDPKTERY-QHCPKHFHSA-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