General Information of the Compound
Compound ID |
CP0552493
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Compound Name |
US9481682, 155
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Structure |
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Formula |
C29H26F3N7O4
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Molecular Weight |
593.566
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Canonical SMILES |
CC(=O)Oc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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InChI |
InChI=1S/C29H26F3N7O4/c1-15(40)43-21-12-16(28(42)36-22-13-18(8-9-34-22)29(30,31)32)3-6-20(21)24-25-26(33)35-10-11-38(25)27(37-24)17-2-4-19-5-7-23(41)39(19)14-17/h3,6,8-13,17,19H,2,4-5,7,14H2,1H3,(H2,33,35)(H,34,36,42)/t17-,19+/m1/s1
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InChIKey |
IDOKZXOGSPQKKF-MJGOQNOKSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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