General Information of the Compound
| Compound ID |
CP0516282
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| Compound Name |
2-amino-1-N,9-N-bis[(3R,6S,7R,10R,16S)-3,10-bis[(2R)-butan-2-yl]-7,14-dimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
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| Structure |
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| Formula |
C64H90N12O16
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| Molecular Weight |
1283.492
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| Canonical SMILES |
CC[C@@H](C)[C@H]1NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](NC(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)[C@H](C)CC)[C@H](C)CC)c4nc23)[C@@H](C)OC1=O)[C@H](C)CC
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| InChI |
InChI=1S/C64H90N12O16/c1-15-29(5)44-61(86)75-25-19-21-38(75)59(84)73(13)27-40(77)66-46(31(7)17-3)63(88)90-35(11)48(57(82)69-44)71-55(80)37-24-23-33(9)53-50(37)68-51-42(43(65)52(79)34(10)54(51)92-53)56(81)72-49-36(12)91-64(89)47(32(8)18-4)67-41(78)28-74(14)60(85)39-22-20-26-76(39)62(87)45(30(6)16-2)70-58(49)83/h23-24,29-32,35-36,38-39,44-49H,15-22,25-28,65H2,1-14H3,(H,66,77)(H,67,78)(H,69,82)(H,70,83)(H,71,80)(H,72,81)/t29-,30-,31-,32-,35-,36-,38+,39+,44-,45-,46-,47-,48+,49+/m1/s1
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| InChIKey |
JYGSUMQCBWGNON-ZMUULUBKSA-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