General Information of the Compound
| Compound ID |
CP0573054
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| Compound Name |
(6S)-13-(ethylamino)-8-[3-[3-(methylamino)-1-phenylpropoxy]phenyl]-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
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| Formula |
C28H34N6O2
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| Molecular Weight |
486.62
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| Canonical SMILES |
CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc(OC(CCNC)c3ccccc3)c1)C2=O
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| InChI |
InChI=1S/C28H34N6O2/c1-3-30-28-31-18-24-26(32-28)33-16-8-12-22(33)19-34(27(24)35)21-11-7-13-23(17-21)36-25(14-15-29-2)20-9-5-4-6-10-20/h4-7,9-11,13,17-18,22,25,29H,3,8,12,14-16,19H2,1-2H3,(H,30,31,32)/t22-,25?/m0/s1
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| InChIKey |
QLIONHKEMUXUQB-XADRRFQNSA-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