General Information of the Compound
| Compound ID |
CP0544260
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| Compound Name |
(12S,14S)-7-chloro-12-(hydroxymethyl)-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),5,7,9,21(29),22(27)-heptaen-24-one
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| Structure |
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| Formula |
C24H27ClN6O4
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| Molecular Weight |
498.971
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| Canonical SMILES |
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)Nc4c(OCCCCO2)c3)n2ncc(Cl)c2n1
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| InChI |
InChI=1S/C24H27ClN6O4/c25-18-11-26-31-21-10-20(28-24(18)31)30-12-17(9-16(30)13-32)34-5-1-2-6-35-19-8-15(27-21)7-14-3-4-22(33)29-23(14)19/h7-8,10-11,16-17,27,32H,1-6,9,12-13H2,(H,29,33)/t16-,17-/m0/s1
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| InChIKey |
CWLCSZMPZYMVMY-IRXDYDNUSA-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