General Information of the Compound
| Compound ID |
CP0935736
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| Compound Name |
US9314468, Table 7, Compound 111
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| Structure |
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| Formula |
C27H31N5
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| Molecular Weight |
425.58
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| Canonical SMILES |
c1cnc2c(c1)CCC[C@@H]2N(Cc1nccc2c1[nH]c1ccccc12)CC1CCCNC1
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| InChI |
InChI=1S/C27H31N5/c1-2-10-23-21(9-1)22-12-15-29-24(27(22)31-23)18-32(17-19-6-4-13-28-16-19)25-11-3-7-20-8-5-14-30-26(20)25/h1-2,5,8-10,12,14-15,19,25,28,31H,3-4,6-7,11,13,16-18H2/t19?,25-/m0/s1
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| InChIKey |
ANUKPGQDPSEJQB-BIAFCPFJSA-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