General Information of the Compound
| Compound ID |
CP0544259
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| Compound Name |
(12S,14S,17E)-7-chloro-12-(hydroxymethyl)-23-(3-morpholin-4-ylpropyl)-15,20-dioxa-2,4,5,9,11,23-hexazahexacyclo[19.7.1.13,10.111,14.04,8.022,27]hentriaconta-1(28),3(31),5,7,9,17,21(29),22(27)-octaen-24-one
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| Structure |
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| Formula |
C31H38ClN7O5
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| Molecular Weight |
624.142
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| Canonical SMILES |
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(CCCN5CCOCC5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
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| InChI |
InChI=1S/C31H38ClN7O5/c32-25-18-33-39-28-17-27(35-31(25)39)38-19-24(16-23(38)20-40)43-10-1-2-11-44-26-15-22(34-28)14-21-4-5-29(41)37(30(21)26)7-3-6-36-8-12-42-13-9-36/h1-2,14-15,17-18,23-24,34,40H,3-13,16,19-20H2/b2-1+/t23-,24-/m0/s1
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| InChIKey |
JJAULVYQLOLUDN-DRYSHGSZSA-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