General Information of the Compound
| Compound ID |
CP0867096
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| Compound Name |
(1aS,19bS)-11-cyclopropyl-5-(4-fluorobenzyl)-8,9-dimethyl-1,1a,2,3,5,6,8,9,11,12,13,14-dodecahydrobenzo[q]cyclopropa[o][1,4,7,10,13]oxatetraazacyclooctadecine-4,7,10(19bH)-trione
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| Structure |
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| Formula |
C30H37FN4O4
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| Molecular Weight |
536.648
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| Canonical SMILES |
CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2OCCNC(C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C30H37FN4O4/c1-18-28(36)34-25(15-19-7-11-22(31)12-8-19)29(37)33-17-21-16-24(21)23-5-3-4-6-26(23)39-14-13-32-27(20-9-10-20)30(38)35(18)2/h3-8,11-12,18,20-21,24-25,27,32H,9-10,13-17H2,1-2H3,(H,33,37)(H,34,36)/t18?,21-,24+,25?,27?/m1/s1
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| InChIKey |
DNNIOJOUHTXROV-OWSPVEIQSA-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