General Information of the Compound
| Compound ID |
CP0512337
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| Compound Name |
US9314468, Table 7, Compound 145
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| Structure |
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| Formula |
C32H40N6
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| Molecular Weight |
508.714
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| Canonical SMILES |
C(CN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
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| InChI |
InChI=1S/C32H40N6/c1-2-9-29-26(8-1)27-13-15-34-28(32(27)38(29)22-24-11-12-24)23-37(19-5-18-36-20-16-33-17-21-36)30-10-3-6-25-7-4-14-35-31(25)30/h1-2,4,7-9,13-15,24,30,33H,3,5-6,10-12,16-23H2/t30-/m0/s1
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| InChIKey |
QPNBBISYSKBKRT-PMERELPUSA-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