General Information of the Compound
| Compound ID |
CP0558756
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| Compound Name |
(12S,14S,17E)-7-chloro-12-(hydroxymethyl)-23-(pyridin-4-ylmethyl)-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 |
C30H30ClN7O4
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| Molecular Weight |
588.068
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| Canonical SMILES |
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(Cc5ccncc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
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| InChI |
InChI=1S/C30H30ClN7O4/c31-24-15-33-38-27-14-26(35-30(24)38)36-17-23(13-22(36)18-39)41-9-1-2-10-42-25-12-21(34-27)11-20-3-4-28(40)37(29(20)25)16-19-5-7-32-8-6-19/h1-2,5-8,11-12,14-15,22-23,34,39H,3-4,9-10,13,16-18H2/b2-1+/t22-,23-/m0/s1
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| InChIKey |
UXCKQZCMUNKJGW-SFGZBRNMSA-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