General Information of the Compound
| Compound ID |
CP0848573
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| Compound Name |
(10R,13R,16S)-10-benzyl-16-sec-butyl-1,3,13,14-tetramethyl-5,6,7,8,10,11,13,14,17,18,19,20-dodecahydropyrimido[4,5-n][1,4,7,10]tetraazacyclooctadecine-2,4,9,12,15(1H,3H,16H)-pentaone
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| Structure |
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| Formula |
C31H46N6O5
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| Molecular Weight |
582.746
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCc2c(c(=O)n(C)c(=O)n2C)CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C31H46N6O5/c1-7-20(2)26-30(41)35(4)21(3)27(38)34-24(19-22-13-9-8-10-14-22)28(39)33-18-11-15-23-25(16-12-17-32-26)36(5)31(42)37(6)29(23)40/h8-10,13-14,20-21,24,26,32H,7,11-12,15-19H2,1-6H3,(H,33,39)(H,34,38)/t20-,21+,24+,26-/m0/s1
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| InChIKey |
QPNGGULXZQJMMO-MIUUGJTFSA-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