General Information of the Compound
| Compound ID |
CP0565708
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| Compound Name |
(1S,2S,6R,14R,15R,16S)-N-(6-aminohexyl)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene-16-carboxamide;dihydrochloride
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| Structure |
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| Formula |
C27H41Cl2N3O4
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| Molecular Weight |
542.548
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| Canonical SMILES |
Cl.Cl.CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
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| InChI |
InChI=1S/C27H39N3O4.2ClH/c1-30-14-11-26-21-17-7-8-19(31)22(21)34-24(26)27(33-2)10-9-25(26,20(30)15-17)16-18(27)23(32)29-13-6-4-3-5-12-28;;/h7-8,18,20,24,31H,3-6,9-16,28H2,1-2H3,(H,29,32);2*1H/t18-,20-,24-,25-,26+,27-;;/m1../s1
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| InChIKey |
DKKZOBLVKGLPBV-CGBQWWFNSA-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