General Information of the Compound
| Compound ID |
CP0633852
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| Compound Name |
2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19-phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaen-35-ylidene]ethan-1-ol
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| Structure |
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| Formula |
C38H42N4O2
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| Molecular Weight |
586.78
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| Canonical SMILES |
OC/C=C1/CN2CC[C@H]3[C@@H]2C[C@@H]1/C1=C/N2c4ccccc4[C@@]45CCN6CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@H]65)N(c2ccccc2)[C@@H]13
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| InChI |
InChI=1S/C38H42N4O2/c43-16-11-23-20-39-14-10-26-32(39)18-27(23)29-22-41-31-9-5-4-8-30(31)38-13-15-40-21-24-12-17-44-37(34(36(38)41)28(24)19-33(38)40)42(35(26)29)25-6-2-1-3-7-25/h1-9,11-12,22,26-28,32-37,43H,10,13-21H2/b23-11-,29-22-/t26-,27-,28-,32-,33-,34+,35+,36-,37+,38+/m0/s1
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| InChIKey |
VVWIDIIMLHNFOH-SBUQLOQDSA-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