General Information of the Compound
| Compound ID |
CP0537001
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| Compound Name |
US9314468, Table 7, Compound 140
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| Structure |
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| Formula |
C30H37N7O
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| Molecular Weight |
511.674
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| Canonical SMILES |
NC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12
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| InChI |
InChI=1S/C30H37N7O/c31-28(38)21-37-26-9-2-1-8-23(26)24-11-13-33-25(30(24)37)20-36(17-5-16-35-18-14-32-15-19-35)27-10-3-6-22-7-4-12-34-29(22)27/h1-2,4,7-9,11-13,27,32H,3,5-6,10,14-21H2,(H2,31,38)/t27-/m0/s1
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| InChIKey |
KSQLGAFWFIKFHD-MHZLTWQESA-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