General Information of the Compound
| Compound ID |
CP0457078
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| Compound Name |
US8969358, 114
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| Structure |
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| Formula |
C32H45N3O5
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| Molecular Weight |
551.728
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
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| InChI |
InChI=1S/C32H45N3O5/c1-5-18(2)26(34-19(3)36)28(38)33-16-22-15-30-10-11-32(22,39-4)29-31(30)12-13-35(17-20-6-7-20)24(30)14-21-8-9-23(37)27(40-29)25(21)31/h8-9,18,20,22,24,26,29,37H,5-7,10-17H2,1-4H3,(H,33,38)(H,34,36)/t18-,22+,24+,26-,29+,30+,31-,32+/m0/s1
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| InChIKey |
FRKGURURTRVRJE-JMTLYBETSA-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