General Information of the Compound
| Compound ID |
CP0557378
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| Compound Name |
US9314468, Table 7, Compound 143
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| Structure |
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| Formula |
C28H35N5O
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| Molecular Weight |
457.622
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| Canonical SMILES |
COCCn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
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| InChI |
InChI=1S/C28H35N5O/c1-34-19-18-33-25-11-3-2-10-22(25)23-13-16-30-24(28(23)33)20-32(17-5-4-14-29)26-12-6-8-21-9-7-15-31-27(21)26/h2-3,7,9-11,13,15-16,26H,4-6,8,12,14,17-20,29H2,1H3/t26-/m0/s1
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| InChIKey |
WUOCTJUKAZEITD-SANMLTNESA-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