General Information of the Compound
| Compound ID |
CP0401164
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| Compound Name |
(11R,12R,13R,14S)-13-cyclopentyl-15,15-dimethyl-12-(3,4,5-trimethoxyphenyl)-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
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| Structure |
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| Formula |
C30H35NO5
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| Molecular Weight |
489.612
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@H]([C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O)C1CCCC1
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| InChI |
InChI=1S/C30H35NO5/c1-30(2)26-23(16-10-6-7-11-16)22(17-14-20(33-3)28(35-5)21(15-17)34-4)24(26)25-27(36-30)18-12-8-9-13-19(18)31-29(25)32/h8-9,12-16,22-24,26H,6-7,10-11H2,1-5H3,(H,31,32)/t22-,23-,24+,26+/m1/s1
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| InChIKey |
CFBFKWASJNXJAE-BIATYSSJSA-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