General Information of the Compound
| Compound ID |
CP0453115
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| Compound Name |
(3S,6S,9S,12S,24S,27R)-12,27-bis[(2S)-butan-2-yl]-3-(2-hydroxypropan-2-yl)-4,10,25-trimethyl-6-(2-methylpropyl)-9,24-di(propan-2-yl)-1-oxa-4,7,10,13,22,25-hexazacycloheptacosane-2,5,8,11,14,23,26-heptone
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| Structure |
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| Formula |
C44H80N6O9
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| Molecular Weight |
837.157
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)CCCCCCCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC
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| InChI |
InChI=1S/C44H80N6O9/c1-16-29(9)33-41(55)48(13)35(28(7)8)39(53)46-31(25-26(3)4)40(54)50(15)37(44(11,12)58)43(57)59-36(30(10)17-2)42(56)49(14)34(27(5)6)38(52)45-24-22-20-18-19-21-23-32(51)47-33/h26-31,33-37,58H,16-25H2,1-15H3,(H,45,52)(H,46,53)(H,47,51)/t29-,30-,31-,33-,34-,35-,36+,37+/m0/s1
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| InChIKey |
JHZZQCVXBQGNJC-YUYCYJJGSA-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