General Information of the Compound
| Compound ID |
CP0561382
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| Compound Name |
US8969358, 102
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| Structure |
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| Formula |
C30H43N3O4
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| Molecular Weight |
509.691
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| Canonical SMILES |
CC[C@H](C)[C@H](N)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/C30H43N3O4/c1-4-17(2)24(31)26(35)32-15-20-14-28-9-10-30(20,36-3)27-29(28)11-12-33(16-18-5-6-18)22(28)13-19-7-8-21(34)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,34H,4-6,9-16,31H2,1-3H3,(H,32,35)/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1
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| InChIKey |
HRLOJAIXFBVECA-WLQXWTRFSA-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