General Information of the Compound
| Compound ID |
CP0499709
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| Compound Name |
US9314468, Table 7, Compound 139
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| Structure |
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| Formula |
C35H46N8O
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| Molecular Weight |
594.808
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| Canonical SMILES |
O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
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| InChI |
InChI=1S/C35H46N8O/c44-33-25-37-17-24-41(33)19-6-21-43-31-10-2-1-9-28(31)29-12-14-38-30(35(29)43)26-42(20-5-18-40-22-15-36-16-23-40)32-11-3-7-27-8-4-13-39-34(27)32/h1-2,4,8-10,12-14,32,36-37H,3,5-7,11,15-26H2/t32-/m0/s1
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| InChIKey |
DSSMQNFSKOOFIX-YTTGMZPUSA-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