General Information of the Compound
| Compound ID |
CP0903661
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| Compound Name |
(5'S,11'S)-5'-sec-butyl-11'-(3-chlorobenzyl)-7'-methyl-2',3',4',5',10',11',13',14',15',16'-decahydrospiro[cyclopentane-1,8'-pyrido[2,3-q][1,4,7,10,13]oxatetraazacyclooctadecine]-6',9',12'(7'H)-trione
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| Structure |
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| Formula |
C31H42ClN5O4
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| Molecular Weight |
584.161
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2cccnc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C31H42ClN5O4/c1-3-21(2)27-29(39)37-31(13-4-5-14-31)30(40)36-25(20-22-9-6-10-23(32)19-22)28(38)35-16-7-11-24-26(12-8-15-33-24)41-18-17-34-27/h6,8-10,12,15,19,21,25,27,34H,3-5,7,11,13-14,16-18,20H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)/t21-,25-,27-/m0/s1
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| InChIKey |
ZWWICOCCAVPYKB-NOOLENRPSA-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