General Information of the Compound
| Compound ID |
CP0580230
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| Compound Name |
(6S)-N-[3-chloro-5-(trifluoromethyl)phenyl]-18-methyl-8-oxo-13-oxa-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 |
C33H31ClF3N7O3
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| Molecular Weight |
666.104
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| Canonical SMILES |
Cc1c2cc(NOCCCCC(=O)N[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/C33H31ClF3N7O3/c1-20-21-7-8-27-18-38-29-9-10-30(41-44(27)29)43-11-4-5-24(19-43)39-31(45)6-2-3-12-47-42-26(13-21)17-28(20)32(46)40-25-15-22(33(35,36)37)14-23(34)16-25/h9-10,13-18,24,42H,2-6,11-12,19H2,1H3,(H,39,45)(H,40,46)/t24-/m0/s1
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| InChIKey |
WLLYMKLGVMLEFL-DEOSSOPVSA-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