General Information of the Compound
| Compound ID |
CP0580237
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| Compound Name |
(6S)-N-[3-chloro-5-(trifluoromethyl)phenyl]-18-methyl-13-oxo-2,7,14,24,28,29-hexazapentacyclo[20.5.2.12,6.115,19.025,29]hentriaconta-1(28),15(30),16,18,22,24,26-heptaen-20-yne-17-carboxamide
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| Structure |
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| Formula |
C34H33ClF3N7O2
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| Molecular Weight |
664.132
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| Canonical SMILES |
Cc1c2cc(NC(=O)CCCCCN[C@H]3CCCN(C3)c3ccc4ncc(C#C2)n4n3)cc1C(=O)Nc1cc(Cl)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C34H33ClF3N7O2/c1-21-22-8-9-28-19-40-30-10-11-31(43-45(28)30)44-13-5-6-25(20-44)39-12-4-2-3-7-32(46)41-26(14-22)18-29(21)33(47)42-27-16-23(34(36,37)38)15-24(35)17-27/h10-11,14-19,25,39H,2-7,12-13,20H2,1H3,(H,41,46)(H,42,47)/t25-/m0/s1
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| InChIKey |
ABFNRJFFINRBRG-VWLOTQADSA-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