General Information of the Compound
| Compound ID |
CP0567621
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| Compound Name |
US9314468, Table 7, Compound 75
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| Structure |
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| Formula |
C34H43N7O2
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| Molecular Weight |
581.765
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| Canonical SMILES |
O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
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| InChI |
InChI=1S/C34H43N7O2/c42-32(39-20-22-43-23-21-39)25-41-30-9-2-1-8-27(30)28-11-13-36-29(34(28)41)24-40(17-5-16-38-18-14-35-15-19-38)31-10-3-6-26-7-4-12-37-33(26)31/h1-2,4,7-9,11-13,31,35H,3,5-6,10,14-25H2/t31-/m0/s1
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| InChIKey |
KHUKENRHVPYVIS-HKBQPEDESA-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