General Information of the Compound
| Compound ID |
CP0720644
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| Compound Name |
(12S)-12-[(1R)-2-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1^{6,10}]icosa-6,8,10(20),15(19),16-pentaene-14,18-dione
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| Structure |
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| Formula |
C36H46N4O4
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| Molecular Weight |
598.788
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| Canonical SMILES |
CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2
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| InChI |
InChI=1S/C36H46N4O4/c1-35(2,3)19-26-17-28-30(20-36(13-7-14-36)44-34(28)38-21-26)37-22-31(41)29-18-25-10-6-9-24(16-25)8-4-5-15-40-23-27(33(43)39-29)11-12-32(40)42/h6,9-12,16-17,21,23,29-31,37,41H,4-5,7-8,13-15,18-20,22H2,1-3H3,(H,39,43)/t29-,30-,31+/m0/s1
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| InChIKey |
BLWNAMGVEGTJBM-RWSKJCERSA-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