General Information of the Compound
| Compound ID |
CP0373341
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| Compound Name |
2-amino-1-N,9-N-bis[(3R,6S,7R,10S,16S)-3-[(2R)-butan-2-yl]-7,14-dimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-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 |
C62H86N12O16
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| Molecular Weight |
1255.438
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| Canonical SMILES |
CC[C@@H](C)[C@H]1NC(=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(C)C)c4nc23)[C@@H](C)OC(=O)[C@@H](NC(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O)C(C)C
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| InChI |
InChI=1S/C62H86N12O16/c1-15-29(7)44-59(84)73-23-17-19-36(73)57(82)71(13)25-38(75)64-42(27(3)4)61(86)88-33(11)46(55(80)67-44)69-53(78)35-22-21-31(9)51-48(35)66-49-40(41(63)50(77)32(10)52(49)90-51)54(79)70-47-34(12)89-62(87)43(28(5)6)65-39(76)26-72(14)58(83)37-20-18-24-74(37)60(85)45(30(8)16-2)68-56(47)81/h21-22,27-30,33-34,36-37,42-47H,15-20,23-26,63H2,1-14H3,(H,64,75)(H,65,76)(H,67,80)(H,68,81)(H,69,78)(H,70,79)/t29-,30-,33-,34-,36+,37+,42+,43+,44-,45-,46+,47+/m1/s1
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| InChIKey |
HFFOYFOCZZLABB-JPTGENBPSA-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