General Information of the Compound
| Compound ID |
CP0473800
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| Compound Name |
(1S,2S,4R,8S,9S,11S,12R,13S,19S)-8-acetyl-6-[(3-chlorophenyl)methyl]-12,19-difluoro-11-hydroxy-9,13-dimethyl-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
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| Structure |
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| Formula |
C30H34ClF2NO3
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| Molecular Weight |
530.055
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| Canonical SMILES |
CC(=O)[C@@]12CN(Cc3cccc(Cl)c3)C[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C
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| InChI |
InChI=1S/C30H34ClF2NO3/c1-17(35)29-16-34(14-18-5-4-6-20(31)9-18)15-19(29)10-22-23-12-25(32)24-11-21(36)7-8-27(24,2)30(23,33)26(37)13-28(22,29)3/h4-9,11,19,22-23,25-26,37H,10,12-16H2,1-3H3/t19-,22-,23-,25-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
NGSNRDAYUOZWAA-YXEVYBQMSA-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