General Information of the Compound
| Compound ID |
CP0224348
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| Compound Name |
(20R)-23-amino-17-fluoro-12,20-dimethyl-13-oxo-21-oxa-3,9,12,24,26-pentazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(25),2(10),4,6,8,14(19),15,17,22(26),23-decaene-5-carbonitrile
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| Structure |
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| Formula |
C23H18FN7O2
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| Molecular Weight |
443.442
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| Canonical SMILES |
C[C@H]1Oc2nc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ccc(cn21)C#N
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| InChI |
InChI=1S/C23H18FN7O2/c1-12-16-7-14(24)4-5-15(16)23(32)30(2)11-18-20(17-9-27-21(26)22(29-17)33-12)31-10-13(8-25)3-6-19(31)28-18/h3-7,9-10,12H,11H2,1-2H3,(H2,26,27)/t12-/m1/s1
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| InChIKey |
MOENETCLMCOREY-GFCCVEGCSA-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