General Information of the Compound
| Compound ID |
CP0424013
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| Compound Name |
N-[(3S,14S,20R,25R)-14-[3-(diaminomethylideneamino)propyl]-2,12,15,19,24-pentaoxo-1,11,13,16,23-pentazapentacyclo[23.8.0.03,11.05,10.027,32]tritriaconta-27,29,31-trien-20-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C41H55N9O6
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| Molecular Weight |
769.948
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)N2C3CCCCC3C[C@H]2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[C@@H](NC(=O)CCc2ccccc2)C(=O)CCNC1=O
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| InChI |
InChI=1S/C41H55N9O6/c42-40(43)46-20-8-14-31-37(53)44-22-19-35(51)30(47-36(52)17-16-26-9-2-1-3-10-26)18-21-45-38(54)33-23-27-11-4-5-13-29(27)25-49(33)39(55)34-24-28-12-6-7-15-32(28)50(34)41(56)48-31/h1-5,9-11,13,28,30-34H,6-8,12,14-25H2,(H,44,53)(H,45,54)(H,47,52)(H,48,56)(H4,42,43,46)/t28?,30-,31+,32?,33-,34+/m1/s1
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| InChIKey |
RJNBLFXNCCRWMD-YGETVQGOSA-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