General Information of the Compound
| Compound ID |
CP0864414
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| Compound Name |
(5S,8R,11R)-5-cyclopropyl-7,8-dimethyl-11-(3,4,5-trifluorobenzyl)-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C29H35F3N4O4
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| Molecular Weight |
560.617
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C29H35F3N4O4/c1-17-27(37)35-23(16-18-14-21(30)25(32)22(31)15-18)28(38)34-11-5-7-19-6-3-4-8-24(19)40-13-12-33-26(20-9-10-20)29(39)36(17)2/h3-4,6,8,14-15,17,20,23,26,33H,5,7,9-13,16H2,1-2H3,(H,34,38)(H,35,37)/t17-,23-,26+/m1/s1
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| InChIKey |
PKWGQHYATARPHP-BPKZHXITSA-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