General Information of the Compound
| Compound ID |
CP0899602
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| Compound Name |
(4S,7R,10R)-10-Benzyl-4-cyclopropyl-6,7-dimethyl-22-oxa-3,6,9,12-tetraaza-tricyclo[14.5.3.0(19,23)]tetracosa-16(24),17,19(23)-triene-5,8,11-trione
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| Structure |
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| Formula |
C31H40N4O4
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| Molecular Weight |
532.685
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccc3c(c2)OC(CC3)CN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C31H40N4O4/c1-20-29(36)34-26(17-21-7-4-3-5-8-21)30(37)32-16-6-9-22-10-11-23-14-15-25(39-27(23)18-22)19-33-28(24-12-13-24)31(38)35(20)2/h3-5,7-8,10-11,18,20,24-26,28,33H,6,9,12-17,19H2,1-2H3,(H,32,37)(H,34,36)/t20-,25?,26-,28+/m1/s1
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| InChIKey |
VMTPBNVTTPPBIX-HLOVQPGSSA-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