General Information of the Compound
| Compound ID |
CP0883206
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| Compound Name |
SID131463507
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| Structure |
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| Formula |
C27H29FN4O2
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| Molecular Weight |
460.553
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| Canonical SMILES |
O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1
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| InChI |
InChI=1S/C27H29FN4O2/c28-22-4-3-5-23(16-22)30-27(34)31-14-1-2-15-32-24(17-31)26(25(32)18-33)21-8-6-19(7-9-21)20-10-12-29-13-11-20/h3-13,16,24-26,33H,1-2,14-15,17-18H2,(H,30,34)/t24-,25-,26-/m0/s1
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| InChIKey |
MQBPPPRPTBCWMV-GSDHBNRESA-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