General Information of the Compound
| Compound ID |
CP0487306
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| Compound Name |
(1S,2S,6R,14R,15R,16S,20R)-18-(6-aminohexyl)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5,18-diazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraene-17,19-dione;dihydrochloride
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| Structure |
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| Formula |
C28H37Cl2N3O5
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| Molecular Weight |
566.526
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| Canonical SMILES |
Cl.Cl.CO[C@]12C=C[C@@]3([C@H]4[C@@H]1C(=O)N(CCCCCCN)C4=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
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| InChI |
InChI=1S/C28H35N3O5.2ClH/c1-30-14-11-27-19-16-7-8-17(32)22(19)36-25(27)28(35-2)10-9-26(27,18(30)15-16)20-21(28)24(34)31(23(20)33)13-6-4-3-5-12-29;;/h7-10,18,20-21,25,32H,3-6,11-15,29H2,1-2H3;2*1H/t18-,20+,21-,25-,26+,27+,28-;;/m1../s1
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| InChIKey |
SIYYPHKKIUALGE-AGVJYFIKSA-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